# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c81e9d57-bc5e-407b-91a4-56ed0e3e4c88/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [Ab-initio phonon calculation for InS / P2_1/c (14) / materials id 630528](https://mdr.nims.go.jp/datasets/acca94d0-383a-4171-b48e-f428d5c09780) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 3, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 3 ]primitive_cell: lattice: - [ 3.944895160000000, 0.000000000000000, -0.076194020000000 ] # a - [ 0.000000000000000, 10.709772770000001, 0.000000000000000 ] # b - [ -3.862322140000000, 0.000000000000000, 4.384710920000000 ] # c points: - symbol: In # 1 coordinates: [ 0.117292460000000, 0.879756370000000, 0.117199440000000 ] mass: 114.818000 - symbol: In # 2 coordinates: [ 0.117292460000000, 0.620243630000000, 0.617199440000000 ] mass: 114.818000 - symbol: In # 3 coordinates: [ 0.882707540000000, 0.120243630000000, 0.882800560000000 ] mass: 114.818000 - symbol: In # 4 coordinates: [ 0.882707540000000, 0.379756370000000, 0.382800560000000 ] mass: 114.818000 - symbol: S # 5 coordinates: [ 0.004540340000000, 0.349909770000000, 0.004696450000000 ] mass: 32.065000 - symbol: S # 6 coordinates: [ 0.995459660000000, 0.849909770000000, 0.495303550000000 ] mass: 32.065000 - symbol: S # 7 coordinates: [ 0.995459660000000, 0.650090230000000, 0.995303550000000 ] mass: 32.065000 - symbol: S # 8 coordinates: [ 0.004540340000000, 0.150090230000000, 0.504696450000000 ] mass: 32.065000 reciprocal_lattice: # without 2pi - [ 0.257879588389721, 0.000000000000000, 0.227156148230567 ] # a* - [ 0.000000000000000, 0.093372662658276, 0.000000000000000 ] # b* - [ 0.004481226442029, 0.000000000000000, 0.232012545105574 ] # c*unit_cell: lattice: - [ 3.944895160000000, 0.000000000000000, -0.076194020000000 ] # a - [ 0.000000000000000, 10.709772770000001, 0.000000000000000 ] # b - [ -3.862322140000000, 0.000000000000000, 4.384710920000000 ] # c points: - symbol: In # 1 coordinates: [ 0.117292460000000, 0.879756370000000, 0.117199440000000 ] mass: 114.818000 reduced_to: 1 - symbol: In # 2 coordinates: [ 0.117292460000000, 0.620243630000000, 0.617199440000000 ] mass: 114.818000 reduced_to: 2 - symbol: In # 3 coordinates: [ 0.882707540000000, 0.120243630000000, 0.882800560000000 ] mass: 114.818000 reduced_to: 3 - symbol: In # 4 coordinates: [ 0.882707540000000, 0.379756370000000, 0.382800560000000 ] mass: 114.818000 reduced_to: 4 - symbol: S # 5 coordinates: [ 0.004540340000000, 0.349909770000000, 0.004696450000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 6 coordinates: [ 0.995459660000000, 0.849909770000000, 0.495303550000000 ] mass: 32.065000 reduced_to: 6 - symbol: S # 7 coordinates: [ 0.995459660000000, 0.650090230000000, 0.995303550000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 8 coordinates: [ 0.004540340000000, 0.150090230000000, 0.504696450000000 ] mass: 32.065000 reduced_to: 8supercell: lattice: - [ 11.834685480000001, 0.000000000000000, -0.228582060000000 ] # a - [ 0.000000000000000, 21.419545540000001, 0.000000000000000 ] # b - [ -11.586966420000000, 0.000000000000000, 13.154132760000000 ] # c points: - symbol: In # 1 coordinates: [ 0.039097486666667, 0.439878185000000, 0.039066480000000 ] mass: 114.818000 reduced_to: 1 - symbol: In # 2 coordinates: [ 0.372430820000000, 0.439878185000000, 0.039066480000000 ] mass: 114.818000 reduced_to: 1 - symbol: In # 3 coordinates: [ 0.705764153333333, 0.439878185000000, 0.039066480000000 ] mass: 114.818000 reduced_to: 1 - symbol: In # 4 coordinates: [ 0.039097486666667, 0.939878185000000, 0.039066480000000 ] mass: 114.818000 reduced_to: 1 - symbol: In # 5 coordinates: [ 0.372430820000000, 0.939878185000000, 0.039066480000000 ] mass: 114.818000 reduced_to: 1 - symbol: In # 6 coordinates: [ 0.705764153333333, 0.939878185000000, 0.039066480000000 ] mass: 114.818000 reduced_to: 1 - symbol: In # 7 coordinates: [ 0.039097486666667, 0.439878185000000, 0.372399813333333 ] mass: 114.818000 reduced_to: 1 - symbol: In # 8 coordinates: [ 0.372430820000000, 0.439878185000000, 0.372399813333333 ] mass: 114.818000 reduced_to: 1 - symbol: In # 9 coordinates: [ 0.705764153333333, 0.439878185000000, 0.372399813333333 ] mass: 114.818000 reduced_to: 1 - symbol: In # 10 coordinates: [ 0.039097486666667, 0.939878185000000, 0.372399813333333 ] mass: 114.818000 reduced_to: 1 - symbol: In # 11 coordinates: [ 0.372430820000000, 0.939878185000000, 0.372399813333333 ] mass: 114.818000 reduced_to: 1 - symbol: In # 12 coordinates: [ 0.705764153333333, 0.939878185000000, 0.372399813333333 ] mass: 114.818000 reduced_to: 1 - symbol: In # 13 coordinates: [ 0.039097486666667, 0.439878185000000, 0.705733146666667 ] mass: 114.818000 reduced_to: 1 - symbol: In # 14 coordinates: [ 0.372430820000000, 0.439878185000000, 0.705733146666667 ] mass: 114.818000 reduced_to: 1 - symbol: In # 15 coordinates: [ 0.705764153333333, 0.439878185000000, 0.705733146666667 ] mass: 114.818000 reduced_to: 1 - symbol: In # 16 coordinates: [ 0.039097486666667, 0.939878185000000, 0.705733146666667 ] mass: 114.818000 reduced_to: 1 - symbol: In # 17 coordinates: [ 0.372430820000000, 0.939878185000000, 0.705733146666667 ] mass: 114.818000 reduced_to: 1 - symbol: In # 18 coordinates: [ 0.705764153333333, 0.939878185000000, 0.705733146666667 ] mass: 114.818000 reduced_to: 1 - symbol: In # 19 coordinates: [ 0.039097486666667, 0.310121815000000, 0.205733146666667 ] mass: 114.818000 reduced_to: 19 - symbol: In # 20 coordinates: [ 0.372430820000000, 0.310121815000000, 0.205733146666667 ] mass: 114.818000 reduced_to: 19 - symbol: In # 21 coordinates: [ 0.705764153333333, 0.310121815000000, 0.205733146666667 ] mass: 114.818000 reduced_to: 19 - symbol: In # 22 coordinates: [ 0.039097486666667, 0.810121815000000, 0.205733146666667 ] mass: 114.818000 reduced_to: 19 - symbol: In # 23 coordinates: [ 0.372430820000000, 0.810121815000000, 0.205733146666667 ] mass: 114.818000 reduced_to: 19 - symbol: In # 24 coordinates: [ 0.705764153333333, 0.810121815000000, 0.205733146666667 ] mass: 114.818000 reduced_to: 19 - symbol: In # 25 coordinates: [ 0.039097486666667, 0.310121815000000, 0.539066480000000 ] mass: 114.818000 reduced_to: 19 - symbol: In # 26 coordinates: [ 0.372430820000000, 0.310121815000000, 0.539066480000000 ] mass: 114.818000 reduced_to: 19 - symbol: In # 27 coordinates: [ 0.705764153333333, 0.310121815000000, 0.539066480000000 ] mass: 114.818000 reduced_to: 19 - symbol: In # 28 coordinates: [ 0.039097486666667, 0.810121815000000, 0.539066480000000 ] mass: 114.818000 reduced_to: 19 - symbol: In # 29 coordinates: [ 0.372430820000000, 0.810121815000000, 0.539066480000000 ] mass: 114.818000 reduced_to: 19 - symbol: In # 30 coordinates: [ 0.705764153333333, 0.810121815000000, 0.539066480000000 ] mass: 114.818000 reduced_to: 19 - symbol: In # 31 coordinates: [ 0.039097486666667, 0.310121815000000, 0.872399813333333 ] mass: 114.818000 reduced_to: 19 - symbol: In # 32 coordinates: [ 0.372430820000000, 0.310121815000000, 0.872399813333333 ] mass: 114.818000 reduced_to: 19 - symbol: In # 33 coordinates: [ 0.705764153333333, 0.310121815000000, 0.872399813333333 ] mass: 114.818000 reduced_to: 19 - symbol: In # 34 coordinates: [ 0.039097486666667, 0.810121815000000, 0.872399813333333 ] mass: 114.818000 reduced_to: 19 - symbol: In # 35 coordinates: [ 0.372430820000000, 0.810121815000000, 0.872399813333333 ] mass: 114.818000 reduced_to: 19 - symbol: In # 36 coordinates: [ 0.705764153333333, 0.810121815000000, 0.872399813333333 ] mass: 114.818000 reduced_to: 19 - symbol: In # 37 coordinates: [ 0.294235846666667, 0.060121815000000, 0.294266853333333 ] mass: 114.818000 reduced_to: 37 - symbol: In # 38 coordinates: [ 0.627569180000000, 0.060121815000000, 0.294266853333333 ] mass: 114.818000 reduced_to: 37 - symbol: In # 39 coordinates: [ 0.960902513333333, 0.060121815000000, 0.294266853333333 ] mass: 114.818000 reduced_to: 37 - symbol: In # 40 coordinates: [ 0.294235846666667, 0.560121815000000, 0.294266853333333 ] mass: 114.818000 reduced_to: 37 - symbol: In # 41 coordinates: [ 0.627569180000000, 0.560121815000000, 0.294266853333333 ] mass: 114.818000 reduced_to: 37 - symbol: In # 42 coordinates: [ 0.960902513333333, 0.560121815000000, 0.294266853333333 ] mass: 114.818000 reduced_to: 37 - symbol: In # 43 coordinates: [ 0.294235846666667, 0.060121815000000, 0.627600186666667 ] mass: 114.818000 reduced_to: 37 - symbol: In # 44 coordinates: [ 0.627569180000000, 0.060121815000000, 0.627600186666667 ] mass: 114.818000 reduced_to: 37 - symbol: In # 45 coordinates: [ 0.960902513333333, 0.060121815000000, 0.627600186666667 ] mass: 114.818000 reduced_to: 37 - symbol: In # 46 coordinates: [ 0.294235846666667, 0.560121815000000, 0.627600186666667 ] mass: 114.818000 reduced_to: 37 - symbol: In # 47 coordinates: [ 0.627569180000000, 0.560121815000000, 0.627600186666667 ] mass: 114.818000 reduced_to: 37 - symbol: In # 48 coordinates: [ 0.960902513333333, 0.560121815000000, 0.627600186666667 ] mass: 114.818000 reduced_to: 37 - symbol: In # 49 coordinates: [ 0.294235846666667, 0.060121815000000, 0.960933520000000 ] mass: 114.818000 reduced_to: 37 - symbol: In # 50 coordinates: [ 0.627569180000000, 0.060121815000000, 0.960933520000000 ] mass: 114.818000 reduced_to: 37 - symbol: In # 51 coordinates: [ 0.960902513333333, 0.060121815000000, 0.960933520000000 ] mass: 114.818000 reduced_to: 37 - symbol: In # 52 coordinates: [ 0.294235846666667, 0.560121815000000, 0.960933520000000 ] mass: 114.818000 reduced_to: 37 - symbol: In # 53 coordinates: [ 0.627569180000000, 0.560121815000000, 0.960933520000000 ] mass: 114.818000 reduced_to: 37 - symbol: In # 54 coordinates: [ 0.960902513333333, 0.560121815000000, 0.960933520000000 ] mass: 114.818000 reduced_to: 37 - symbol: In # 55 coordinates: [ 0.294235846666667, 0.189878185000000, 0.127600186666667 ] mass: 114.818000 reduced_to: 55 - symbol: In # 56 coordinates: [ 0.627569180000000, 0.189878185000000, 0.127600186666667 ] mass: 114.818000 reduced_to: 55 - symbol: In # 57 coordinates: [ 0.960902513333333, 0.189878185000000, 0.127600186666667 ] mass: 114.818000 reduced_to: 55 - symbol: In # 58 coordinates: [ 0.294235846666667, 0.689878185000000, 0.127600186666667 ] mass: 114.818000 reduced_to: 55 - symbol: In # 59 coordinates: [ 0.627569180000000, 0.689878185000000, 0.127600186666667 ] mass: 114.818000 reduced_to: 55 - symbol: In # 60 coordinates: [ 0.960902513333333, 0.689878185000000, 0.127600186666667 ] mass: 114.818000 reduced_to: 55 - symbol: In # 61 coordinates: [ 0.294235846666667, 0.189878185000000, 0.460933520000000 ] mass: 114.818000 reduced_to: 55 - symbol: In # 62 coordinates: [ 0.627569180000000, 0.189878185000000, 0.460933520000000 ] mass: 114.818000 reduced_to: 55 - symbol: In # 63 coordinates: [ 0.960902513333333, 0.189878185000000, 0.460933520000000 ] mass: 114.818000 reduced_to: 55 - symbol: In # 64 coordinates: [ 0.294235846666667, 0.689878185000000, 0.460933520000000 ] mass: 114.818000 reduced_to: 55 - symbol: In # 65 coordinates: [ 0.627569180000000, 0.689878185000000, 0.460933520000000 ] mass: 114.818000 reduced_to: 55 - symbol: In # 66 coordinates: [ 0.960902513333333, 0.689878185000000, 0.460933520000000 ] mass: 114.818000 reduced_to: 55 - symbol: In # 67 coordinates: [ 0.294235846666667, 0.189878185000000, 0.794266853333333 ] mass: 114.818000 reduced_to: 55 - symbol: In # 68 coordinates: [ 0.627569180000000, 0.189878185000000, 0.794266853333333 ] mass: 114.818000 reduced_to: 55 - symbol: In # 69 coordinates: [ 0.960902513333333, 0.189878185000000, 0.794266853333333 ] mass: 114.818000 reduced_to: 55 - symbol: In # 70 coordinates: [ 0.294235846666667, 0.689878185000000, 0.794266853333333 ] mass: 114.818000 reduced_to: 55 - symbol: In # 71 coordinates: [ 0.627569180000000, 0.689878185000000, 0.794266853333333 ] mass: 114.818000 reduced_to: 55 - symbol: In # 72 coordinates: [ 0.960902513333333, 0.689878185000000, 0.794266853333333 ] mass: 114.818000 reduced_to: 55 - symbol: S # 73 coordinates: [ 0.001513446666667, 0.174954885000000, 0.001565483333333 ] mass: 32.065000 reduced_to: 73 - symbol: S # 74 coordinates: [ 0.334846780000000, 0.174954885000000, 0.001565483333333 ] mass: 32.065000 reduced_to: 73 - symbol: S # 75 coordinates: [ 0.668180113333333, 0.174954885000000, 0.001565483333333 ] mass: 32.065000 reduced_to: 73 - symbol: S # 76 coordinates: [ 0.001513446666667, 0.674954885000000, 0.001565483333333 ] mass: 32.065000 reduced_to: 73 - symbol: S # 77 coordinates: [ 0.334846780000000, 0.674954885000000, 0.001565483333333 ] mass: 32.065000 reduced_to: 73 - symbol: S # 78 coordinates: [ 0.668180113333333, 0.674954885000000, 0.001565483333333 ] mass: 32.065000 reduced_to: 73 - symbol: S # 79 coordinates: [ 0.001513446666667, 0.174954885000000, 0.334898816666667 ] mass: 32.065000 reduced_to: 73 - symbol: S # 80 coordinates: [ 0.334846780000000, 0.174954885000000, 0.334898816666667 ] mass: 32.065000 reduced_to: 73 - symbol: S # 81 coordinates: [ 0.668180113333333, 0.174954885000000, 0.334898816666667 ] mass: 32.065000 reduced_to: 73 - symbol: S # 82 coordinates: [ 0.001513446666667, 0.674954885000000, 0.334898816666667 ] mass: 32.065000 reduced_to: 73 - symbol: S # 83 coordinates: [ 0.334846780000000, 0.674954885000000, 0.334898816666667 ] mass: 32.065000 reduced_to: 73 - symbol: S # 84 coordinates: [ 0.668180113333333, 0.674954885000000, 0.334898816666667 ] mass: 32.065000 reduced_to: 73 - symbol: S # 85 coordinates: [ 0.001513446666667, 0.174954885000000, 0.668232150000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 86 coordinates: [ 0.334846780000000, 0.174954885000000, 0.668232150000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 87 coordinates: [ 0.668180113333333, 0.174954885000000, 0.668232150000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 88 coordinates: [ 0.001513446666667, 0.674954885000000, 0.668232150000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 89 coordinates: [ 0.334846780000000, 0.674954885000000, 0.668232150000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 90 coordinates: [ 0.668180113333333, 0.674954885000000, 0.668232150000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 91 coordinates: [ 0.331819886666667, 0.424954885000000, 0.165101183333333 ] mass: 32.065000 reduced_to: 91 - symbol: S # 92 coordinates: [ 0.665153220000000, 0.424954885000000, 0.165101183333333 ] mass: 32.065000 reduced_to: 91 - symbol: S # 93 coordinates: [ 0.998486553333333, 0.424954885000000, 0.165101183333333 ] mass: 32.065000 reduced_to: 91 - symbol: S # 94 coordinates: [ 0.331819886666667, 0.924954885000000, 0.165101183333333 ] mass: 32.065000 reduced_to: 91 - symbol: S # 95 coordinates: [ 0.665153220000000, 0.924954885000000, 0.165101183333333 ] mass: 32.065000 reduced_to: 91 - symbol: S # 96 coordinates: [ 0.998486553333333, 0.924954885000000, 0.165101183333333 ] mass: 32.065000 reduced_to: 91 - symbol: S # 97 coordinates: [ 0.331819886666667, 0.424954885000000, 0.498434516666667 ] mass: 32.065000 reduced_to: 91 - symbol: S # 98 coordinates: [ 0.665153220000000, 0.424954885000000, 0.498434516666667 ] mass: 32.065000 reduced_to: 91 - symbol: S # 99 coordinates: [ 0.998486553333333, 0.424954885000000, 0.498434516666667 ] mass: 32.065000 reduced_to: 91 - symbol: S # 100 coordinates: [ 0.331819886666667, 0.924954885000000, 0.498434516666667 ] mass: 32.065000 reduced_to: 91 - symbol: S # 101 coordinates: [ 0.665153220000000, 0.924954885000000, 0.498434516666667 ] mass: 32.065000 reduced_to: 91 - symbol: S # 102 coordinates: [ 0.998486553333333, 0.924954885000000, 0.498434516666667 ] mass: 32.065000 reduced_to: 91 - symbol: S # 103 coordinates: [ 0.331819886666667, 0.424954885000000, 0.831767850000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 104 coordinates: [ 0.665153220000000, 0.424954885000000, 0.831767850000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 105 coordinates: [ 0.998486553333333, 0.424954885000000, 0.831767850000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 106 coordinates: [ 0.331819886666667, 0.924954885000000, 0.831767850000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 107 coordinates: [ 0.665153220000000, 0.924954885000000, 0.831767850000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 108 coordinates: [ 0.998486553333333, 0.924954885000000, 0.831767850000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 109 coordinates: [ 0.331819886666667, 0.325045115000000, 0.331767850000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 110 coordinates: [ 0.665153220000000, 0.325045115000000, 0.331767850000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 111 coordinates: [ 0.998486553333333, 0.325045115000000, 0.331767850000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 112 coordinates: [ 0.331819886666667, 0.825045115000000, 0.331767850000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 113 coordinates: [ 0.665153220000000, 0.825045115000000, 0.331767850000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 114 coordinates: [ 0.998486553333333, 0.825045115000000, 0.331767850000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 115 coordinates: [ 0.331819886666667, 0.325045115000000, 0.665101183333333 ] mass: 32.065000 reduced_to: 109 - symbol: S # 116 coordinates: [ 0.665153220000000, 0.325045115000000, 0.665101183333333 ] mass: 32.065000 reduced_to: 109 - symbol: S # 117 coordinates: [ 0.998486553333333, 0.325045115000000, 0.665101183333333 ] mass: 32.065000 reduced_to: 109 - symbol: S # 118 coordinates: [ 0.331819886666667, 0.825045115000000, 0.665101183333333 ] mass: 32.065000 reduced_to: 109 - symbol: S # 119 coordinates: [ 0.665153220000000, 0.825045115000000, 0.665101183333333 ] mass: 32.065000 reduced_to: 109 - symbol: S # 120 coordinates: [ 0.998486553333333, 0.825045115000000, 0.665101183333333 ] mass: 32.065000 reduced_to: 109 - symbol: S # 121 coordinates: [ 0.331819886666667, 0.325045115000000, 0.998434516666667 ] mass: 32.065000 reduced_to: 109 - symbol: S # 122 coordinates: [ 0.665153220000000, 0.325045115000000, 0.998434516666667 ] mass: 32.065000 reduced_to: 109 - symbol: S # 123 coordinates: [ 0.998486553333333, 0.325045115000000, 0.998434516666667 ] mass: 32.065000 reduced_to: 109 - symbol: S # 124 coordinates: [ 0.331819886666667, 0.825045115000000, 0.998434516666667 ] mass: 32.065000 reduced_to: 109 - symbol: S # 125 coordinates: [ 0.665153220000000, 0.825045115000000, 0.998434516666667 ] mass: 32.065000 reduced_to: 109 - symbol: S # 126 coordinates: [ 0.998486553333333, 0.825045115000000, 0.998434516666667 ] mass: 32.065000 reduced_to: 109 - symbol: S # 127 coordinates: [ 0.001513446666667, 0.075045115000000, 0.168232150000000 ] mass: 32.065000 reduced_to: 127 - symbol: S # 128 coordinates: [ 0.334846780000000, 0.075045115000000, 0.168232150000000 ] mass: 32.065000 reduced_to: 127 - symbol: S # 129 coordinates: [ 0.668180113333333, 0.075045115000000, 0.168232150000000 ] mass: 32.065000 reduced_to: 127 - symbol: S # 130 coordinates: [ 0.001513446666667, 0.575045115000000, 0.168232150000000 ] mass: 32.065000 reduced_to: 127 - symbol: S # 131 coordinates: [ 0.334846780000000, 0.575045115000000, 0.168232150000000 ] mass: 32.065000 reduced_to: 127 - symbol: S # 132 coordinates: [ 0.668180113333333, 0.575045115000000, 0.168232150000000 ] mass: 32.065000 reduced_to: 127 - symbol: S # 133 coordinates: [ 0.001513446666667, 0.075045115000000, 0.501565483333333 ] mass: 32.065000 reduced_to: 127 - symbol: S # 134 coordinates: [ 0.334846780000000, 0.075045115000000, 0.501565483333333 ] mass: 32.065000 reduced_to: 127 - symbol: S # 135 coordinates: [ 0.668180113333333, 0.075045115000000, 0.501565483333333 ] mass: 32.065000 reduced_to: 127 - symbol: S # 136 coordinates: [ 0.001513446666667, 0.575045115000000, 0.501565483333333 ] mass: 32.065000 reduced_to: 127 - symbol: S # 137 coordinates: [ 0.334846780000000, 0.575045115000000, 0.501565483333333 ] mass: 32.065000 reduced_to: 127 - symbol: S # 138 coordinates: [ 0.668180113333333, 0.575045115000000, 0.501565483333333 ] mass: 32.065000 reduced_to: 127 - symbol: S # 139 coordinates: [ 0.001513446666667, 0.075045115000000, 0.834898816666667 ] mass: 32.065000 reduced_to: 127 - symbol: S # 140 coordinates: [ 0.334846780000000, 0.075045115000000, 0.834898816666667 ] mass: 32.065000 reduced_to: 127 - symbol: S # 141 coordinates: [ 0.668180113333333, 0.075045115000000, 0.834898816666667 ] mass: 32.065000 reduced_to: 127 - symbol: S # 142 coordinates: [ 0.001513446666667, 0.575045115000000, 0.834898816666667 ] mass: 32.065000 reduced_to: 127 - symbol: S # 143 coordinates: [ 0.334846780000000, 0.575045115000000, 0.834898816666667 ] mass: 32.065000 reduced_to: 127 - symbol: S # 144 coordinates: [ 0.668180113333333, 0.575045115000000, 0.834898816666667 ] mass: 32.065000 reduced_to: 127born_effective_charge:- # 1 (In) - [ 3.069018080000000, 0.007209530000000, -0.014289600000000 ] - [ -0.005332380000000, 2.805757200000000, -0.305782640000000 ] - [ -0.011440300000000, 0.412692280000000, 2.666369210000000 ]- # 2 (In) - [ 3.069018080000000, -0.007209530000000, -0.014289600000000 ] - [ 0.005332380000000, 2.805757200000000, 0.305782640000000 ] - [ -0.011440300000000, -0.412692280000000, 2.666369210000000 ]- # 3 (In) - [ 3.069018080000000, 0.007209530000000, -0.014289600000000 ] - [ -0.005332380000000, 2.805757200000000, -0.305782640000000 ] - [ -0.011440300000000, 0.412692280000000, 2.666369210000000 ]- # 4 (In) - [ 3.069018080000000, -0.007209530000000, -0.014289600000000 ] - [ 0.005332380000000, 2.805757200000000, 0.305782640000000 ] - [ -0.011440300000000, -0.412692280000000, 2.666369210000000 ]- # 5 (S) - [ -3.069018080000000, -0.008552010000000, 0.014289600000000 ] - [ -0.005951610000000, -2.805757200000000, -0.365586320000000 ] - [ 0.011440300000000, -0.579494940000000, -2.666369210000000 ]- # 6 (S) - [ -3.069018080000000, 0.008552010000000, 0.014289600000000 ] - [ 0.005951610000000, -2.805757200000000, 0.365586320000000 ] - [ 0.011440300000000, 0.579494940000000, -2.666369210000000 ]- # 7 (S) - [ -3.069018080000000, -0.008552010000000, 0.014289600000000 ] - [ -0.005951610000000, -2.805757200000000, -0.365586320000000 ] - [ 0.011440300000000, -0.579494940000000, -2.666369210000000 ]- # 8 (S) - [ -3.069018080000000, 0.008552010000000, 0.014289600000000 ] - [ 0.005951610000000, -2.805757200000000, 0.365586320000000 ] - [ 0.011440300000000, 0.579494940000000, -2.666369210000000 ]dielectric_constant: - [ 9.818604060000000, 0.000000000000000, -0.087513420000000 ] - [ 0.000000000000000, 13.200726860000000, 0.000000000000000 ] - [ -0.087510370000000, 0.000000000000000, 9.996203780000000 ]displacements:- atom: 1 displacement: [ 0.0099981352554036, 0.0000000000000000, -0.0001931098512674 ] forces: - [ -0.0543852300000000, -0.0002091000000000, 0.0005314200000000 ] - [ 0.0082011500000000, -0.0002704800000000, -0.0022127100000000 ] - [ 0.0082141900000000, -0.0005449100000000, 0.0025424300000000 ] - [ -0.0001113800000000, -0.0004041200000000, 0.0003149900000000 ] - [ -0.0000428800000000, -0.0004100600000000, 0.0003476000000000 ] - [ -0.0000438700000000, -0.0003990300000000, 0.0002805600000000 ] - [ 0.0022230400000000, -0.0005387700000000, -0.0025960000000000 ] - [ -0.0033970600000000, -0.0004050100000000, 0.0003772400000000 ] - [ 0.0023310300000000, -0.0002730700000000, 0.0031200800000000 ] - [ -0.0000636400000000, -0.0004119200000000, 0.0002591300000000 ] - [ -0.0000821400000000, -0.0004047000000000, 0.0003145300000000 ] - [ -0.0000614100000000, -0.0003971600000000, 0.0003692000000000 ] - [ 0.0022611300000000, -0.0000703300000000, -0.0008844700000000 ] - [ 0.0022930600000000, -0.0007387600000000, 0.0014105400000000 ] - [ -0.0033970000000000, -0.0004042000000000, 0.0003770800000000 ] - [ -0.0000628900000000, -0.0003925600000000, 0.0003028000000000 ] - [ -0.0000621400000000, -0.0004172600000000, 0.0003259400000000 ] - [ -0.0000821900000000, -0.0004044500000000, 0.0003147600000000 ] - [ -0.0009075600000000, 0.0069217300000000, -0.0020434100000000 ] - [ -0.0008150500000000, -0.0061253400000000, 0.0027070600000000 ] - [ 0.0015495200000000, 0.0004046700000000, 0.0002863600000000 ] - [ -0.0001041600000000, 0.0002941600000000, 0.0002202800000000 ] - [ -0.0001005700000000, 0.0005168900000000, 0.0004107000000000 ] - [ -0.0000051000000000, 0.0004058800000000, 0.0003142600000000 ] - [ 0.0010046800000000, 0.0004047500000000, 0.0002905700000000 ] - [ -0.0004997800000000, 0.0006921800000000, 0.0002896500000000 ] - [ -0.0004961500000000, 0.0001168200000000, 0.0003529700000000 ] - [ -0.0000778200000000, 0.0004048700000000, 0.0003147500000000 ] - [ -0.0000669200000000, 0.0004119200000000, 0.0002999900000000 ] - [ -0.0000663500000000, 0.0003986600000000, 0.0003296300000000 ] - [ -0.0008726500000000, -0.0027925800000000, 0.0003915700000000 ] - [ 0.0015493800000000, 0.0004043100000000, 0.0002819000000000 ] - [ -0.0008498900000000, 0.0035794200000000, 0.0002793600000000 ] - [ -0.0001027900000000, 0.0004262100000000, 0.0002948500000000 ] - [ -0.0000053100000000, 0.0004051300000000, 0.0003136300000000 ] - [ -0.0001018000000000, 0.0003840300000000, 0.0003358500000000 ] - [ -0.0000251500000000, 0.0004049500000000, -0.0003137900000000 ] - [ 0.0001225900000000, 0.0003333000000000, -0.0003658600000000 ] - [ 0.0001252400000000, 0.0004768300000000, -0.0002665600000000 ] - [ -0.0009643100000000, 0.0004008700000000, -0.0002995400000000 ] - [ 0.0003604400000000, 0.0012781900000000, -0.0005887300000000 ] - [ 0.0003721400000000, -0.0004691100000000, -0.0000502100000000 ] - [ 0.0000729700000000, 0.0003997600000000, -0.0003148400000000 ] - [ 0.0000751600000000, 0.0004054100000000, -0.0003150700000000 ] - [ 0.0000730300000000, 0.0004104500000000, -0.0003152400000000 ] - [ -0.0000061600000000, 0.0001137700000000, -0.0003907600000000 ] - [ 0.0000798700000000, 0.0004067300000000, -0.0003154500000000 ] - [ -0.0000054000000000, 0.0006999000000000, -0.0002363900000000 ] - [ 0.0000605200000000, 0.0002659300000000, -0.0004300600000000 ] - [ 0.0000664100000000, 0.0005450600000000, -0.0002004100000000 ] - [ 0.0001502000000000, 0.0004064800000000, -0.0003153700000000 ] - [ 0.0000048500000000, 0.0016362000000000, -0.0011213300000000 ] - [ 0.0000390900000000, -0.0008134500000000, 0.0004897300000000 ] - [ -0.0021801600000000, 0.0002851900000000, -0.0002287900000000 ] - [ -0.0000278100000000, -0.0010418700000000, -0.0008527000000000 ] - [ 0.0002874800000000, -0.0004055500000000, -0.0003195700000000 ] - [ -0.0000048500000000, 0.0002321400000000, 0.0002228500000000 ] - [ -0.0000223200000000, 0.0000236600000000, -0.0005957500000000 ] - [ 0.0002875400000000, -0.0004046100000000, -0.0003192800000000 ] - [ -0.0000103000000000, -0.0008320200000000, -0.0000327000000000 ] - [ -0.0000070600000000, -0.0003323000000000, -0.0004063800000000 ] - [ -0.0000034800000000, -0.0004779600000000, -0.0002213700000000 ] - [ 0.0001972100000000, -0.0004046000000000, -0.0003171000000000 ] - [ -0.0000068100000000, -0.0004681600000000, -0.0003749900000000 ] - [ -0.0000036700000000, -0.0003404500000000, -0.0002531600000000 ] - [ 0.0001971200000000, -0.0004038700000000, -0.0003181000000000 ] - [ -0.0000084500000000, -0.0004058000000000, -0.0003142100000000 ] - [ 0.0001717700000000, -0.0003823200000000, -0.0002280000000000 ] - [ 0.0001689300000000, -0.0004266400000000, -0.0004056800000000 ] - [ -0.0000084500000000, -0.0004026500000000, -0.0003144700000000 ] - [ 0.0001720800000000, -0.0002577400000000, -0.0002116400000000 ] - [ 0.0001685700000000, -0.0005531000000000, -0.0004224600000000 ] - [ 0.0008214000000000, 0.0036348700000000, -0.0011664900000000 ] - [ 0.0001316500000000, 0.0039569300000000, -0.0009543100000000 ] - [ 0.0001226000000000, 0.0033182600000000, -0.0013511400000000 ] - [ 0.0005027900000000, 0.0036429400000000, -0.0011580300000000 ] - [ 0.0002171200000000, 0.0033217100000000, -0.0010500900000000 ] - [ 0.0002121500000000, 0.0039501200000000, -0.0012594100000000 ] - [ 0.0001797800000000, 0.0035276000000000, -0.0009792200000000 ] - [ 0.0007265400000000, 0.0036369800000000, -0.0011637300000000 ] - [ 0.0001727600000000, 0.0037470300000000, -0.0013282600000000 ] - [ 0.0002581000000000, 0.0039745800000000, -0.0011185300000000 ] - [ 0.0006230800000000, 0.0036364000000000, -0.0011624900000000 ] - [ 0.0002580600000000, 0.0033007600000000, -0.0011906800000000 ] - [ 0.0003794200000000, 0.0035942500000000, -0.0012170200000000 ] - [ 0.0003793200000000, 0.0036789100000000, -0.0010995800000000 ] - [ 0.0003297000000000, 0.0036366300000000, -0.0011577200000000 ] - [ 0.0003759300000000, 0.0036709100000000, -0.0012886100000000 ] - [ 0.0003784400000000, 0.0036021300000000, -0.0010271200000000 ] - [ 0.0004787400000000, 0.0036357000000000, -0.0011591600000000 ] - [ 0.0206763300000000, 0.0021964400000000, 0.0173998400000000 ] - [ -0.0028843200000000, 0.0036385500000000, 0.0012023000000000 ] - [ 0.0192771000000000, 0.0049167200000000, -0.0150915600000000 ] - [ -0.0003303400000000, 0.0036313100000000, 0.0011432200000000 ] - [ -0.0004224800000000, 0.0036364200000000, 0.0011581600000000 ] - [ -0.0003298700000000, 0.0036409500000000, 0.0011700000000000 ] - [ 0.0000670200000000, 0.0036919200000000, 0.0012535300000000 ] - [ 0.0000613100000000, 0.0035820300000000, 0.0010472500000000 ] - [ -0.0015994800000000, 0.0036368300000000, 0.0011829300000000 ] - [ -0.0003260000000000, 0.0036306800000000, 0.0011650200000000 ] - [ -0.0003264500000000, 0.0036420600000000, 0.0011478000000000 ] - [ -0.0004168300000000, 0.0036363100000000, 0.0011580400000000 ] - [ -0.0013026500000000, 0.0036375100000000, 0.0011766200000000 ] - [ -0.0011752500000000, 0.0038785300000000, -0.0011734600000000 ] - [ -0.0010842800000000, 0.0033968600000000, 0.0035349900000000 ] - [ -0.0003990000000000, 0.0036365800000000, 0.0011579000000000 ] - [ -0.0003356300000000, 0.0036547300000000, 0.0011480000000000 ] - [ -0.0003349700000000, 0.0036178500000000, 0.0011649000000000 ] - [ 0.0018514200000000, -0.0036327900000000, 0.0011121200000000 ] - [ -0.0023646500000000, -0.0024262800000000, -0.0001657500000000 ] - [ -0.0023201700000000, -0.0048531300000000, 0.0025650500000000 ] - [ -0.0002814200000000, -0.0036368500000000, 0.0011552400000000 ] - [ -0.0003918300000000, -0.0036988900000000, 0.0011310700000000 ] - [ -0.0003911100000000, -0.0035750000000000, 0.0011835500000000 ] - [ -0.0011195500000000, -0.0039822200000000, 0.0005812300000000 ] - [ 0.0005065200000000, -0.0036345600000000, 0.0011426700000000 ] - [ -0.0011005800000000, -0.0032888100000000, 0.0017657500000000 ] - [ -0.0003642100000000, -0.0036261100000000, 0.0011608500000000 ] - [ -0.0003371100000000, -0.0036369000000000, 0.0011562300000000 ] - [ -0.0003644000000000, -0.0036476200000000, 0.0011526600000000 ] - [ -0.0016914600000000, -0.0028568900000000, 0.0021229600000000 ] - [ -0.0017230500000000, -0.0044117900000000, 0.0002451600000000 ] - [ 0.0038898800000000, -0.0035486300000000, 0.0010930900000000 ] - [ -0.0003995200000000, -0.0037001000000000, 0.0011776700000000 ] - [ -0.0004006300000000, -0.0035741100000000, 0.0011369800000000 ] - [ -0.0002653800000000, -0.0036371600000000, 0.0011548100000000 ] - [ 0.0003909000000000, -0.0037119200000000, -0.0011816800000000 ] - [ 0.0003925500000000, -0.0035635100000000, -0.0011337600000000 ] - [ 0.0002483300000000, -0.0036363500000000, -0.0011555500000000 ] - [ 0.0013335600000000, -0.0038746900000000, -0.0019399500000000 ] - [ 0.0013718000000000, -0.0033948400000000, -0.0004029800000000 ] - [ -0.0005471000000000, -0.0036368700000000, -0.0011432100000000 ] - [ 0.0002869500000000, -0.0036367700000000, -0.0011562200000000 ] - [ 0.0003998100000000, -0.0036127300000000, -0.0011723100000000 ] - [ 0.0004006700000000, -0.0036603200000000, -0.0011441000000000 ] - [ -0.0001444500000000, -0.0036383200000000, -0.0011469600000000 ] - [ 0.0006355000000000, -0.0036048700000000, -0.0010558400000000 ] - [ 0.0006304200000000, -0.0036705400000000, -0.0012673900000000 ] - [ 0.0003919900000000, -0.0037095500000000, -0.0011523300000000 ] - [ 0.0002343100000000, -0.0036365600000000, -0.0011552700000000 ] - [ 0.0003909800000000, -0.0035654500000000, -0.0011646900000000 ] - [ 0.0016836900000000, -0.0029069600000000, -0.0022514400000000 ] - [ -0.0006396600000000, -0.0036404600000000, -0.0011361600000000 ] - [ 0.0017129400000000, -0.0043609000000000, -0.0001271200000000 ]- atom: 1 displacement: [ -0.0099981352554036, 0.0000000000000000, 0.0001931098512674 ] forces: - [ 0.0541588400000000, -0.0001974500000000, -0.0016332500000000 ] - [ -0.0082635900000000, -0.0005464100000000, 0.0028595700000000 ] - [ -0.0084343700000000, -0.0002722800000000, -0.0018924100000000 ] - [ -0.0000303800000000, -0.0004061200000000, 0.0003135800000000 ] - [ -0.0000992100000000, -0.0004006500000000, 0.0002821800000000 ] - [ -0.0000974800000000, -0.0004116500000000, 0.0003490800000000 ] - [ -0.0023609400000000, -0.0002743500000000, 0.0032121100000000 ] - [ 0.0032554700000000, -0.0004070200000000, 0.0002542000000000 ] - [ -0.0024774100000000, -0.0005401800000000, -0.0025038800000000 ] - [ -0.0000782900000000, -0.0003985900000000, 0.0003698500000000 ] - [ -0.0000595100000000, -0.0004066900000000, 0.0003147600000000 ] - [ -0.0000801600000000, -0.0004137200000000, 0.0002596300000000 ] - [ -0.0023885500000000, -0.0007404300000000, 0.0015046300000000 ] - [ -0.0024491400000000, -0.0000716500000000, -0.0007898100000000 ] - [ 0.0032553100000000, -0.0004057500000000, 0.0002486000000000 ] - [ -0.0000794100000000, -0.0004193600000000, 0.0003269500000000 ] - [ -0.0000791000000000, -0.0003947800000000, 0.0003038300000000 ] - [ -0.0000593900000000, -0.0004061900000000, 0.0003146900000000 ] - [ 0.0007639500000000, -0.0061247500000000, 0.0026762600000000 ] - [ 0.0006752100000000, 0.0069230800000000, -0.0020736900000000 ] - [ -0.0016911600000000, 0.0004055100000000, 0.0003491400000000 ] - [ -0.0000376500000000, 0.0005183100000000, 0.0004101000000000 ] - [ -0.0000411500000000, 0.0002948900000000, 0.0002194700000000 ] - [ -0.0001366900000000, 0.0004058100000000, 0.0003166200000000 ] - [ -0.0011465400000000, 0.0004055700000000, 0.0003306200000000 ] - [ 0.0003556000000000, 0.0001181900000000, 0.0003372100000000 ] - [ 0.0003565200000000, 0.0006930600000000, 0.0002735500000000 ] - [ -0.0000638900000000, 0.0004056400000000, 0.0003144100000000 ] - [ -0.0000748600000000, 0.0004002100000000, 0.0003305900000000 ] - [ -0.0000755800000000, 0.0004130800000000, 0.0003005200000000 ] - [ 0.0007048600000000, 0.0035787100000000, 0.0002502500000000 ] - [ -0.0016913000000000, 0.0004053900000000, 0.0003444200000000 ] - [ 0.0007344700000000, -0.0027932400000000, 0.0003614300000000 ] - [ -0.0000395100000000, 0.0003853100000000, 0.0003351700000000 ] - [ -0.0001366800000000, 0.0004072500000000, 0.0003160800000000 ] - [ -0.0000394900000000, 0.0004269000000000, 0.0002939100000000 ] - [ 0.0001676500000000, 0.0004058700000000, -0.0003175400000000 ] - [ 0.0000191000000000, 0.0004779600000000, -0.0002642500000000 ] - [ 0.0000177700000000, 0.0003345900000000, -0.0003634800000000 ] - [ 0.0011066300000000, 0.0004063400000000, -0.0003388700000000 ] - [ -0.0002191900000000, -0.0004694700000000, -0.0000386100000000 ] - [ -0.0002285600000000, 0.0012774800000000, -0.0005771300000000 ] - [ 0.0000692200000000, 0.0004116000000000, -0.0003150800000000 ] - [ 0.0000671400000000, 0.0004065000000000, -0.0003146500000000 ] - [ 0.0000697500000000, 0.0004004900000000, -0.0003143900000000 ] - [ 0.0001500900000000, 0.0007018200000000, -0.0002395900000000 ] - [ 0.0000626300000000, 0.0004086400000000, -0.0003143600000000 ] - [ 0.0001462700000000, 0.0001142500000000, -0.0003933900000000 ] - [ 0.0000801200000000, 0.0005457700000000, -0.0002001600000000 ] - [ 0.0000777700000000, 0.0002670400000000, -0.0004301600000000 ] - [ -0.0000076900000000, 0.0004078900000000, -0.0003116300000000 ] - [ 0.0001338000000000, -0.0008130400000000, 0.0004876300000000 ] - [ 0.0001069200000000, 0.0016363700000000, -0.0011231800000000 ] - [ 0.0023244000000000, 0.0003114700000000, -0.0003163700000000 ] - [ 0.0001671200000000, 0.0002304500000000, 0.0002197000000000 ] - [ -0.0001450000000000, -0.0004068800000000, -0.0003111900000000 ] - [ 0.0001504600000000, -0.0010438500000000, -0.0008560100000000 ] - [ 0.0001626400000000, -0.0008338600000000, -0.0000358000000000 ] - [ -0.0001448800000000, -0.0004068200000000, -0.0003105200000000 ] - [ 0.0001549300000000, 0.0000221700000000, -0.0005989100000000 ] - [ 0.0001493400000000, -0.0004798600000000, -0.0002237600000000 ] - [ 0.0001461300000000, -0.0003344700000000, -0.0004091200000000 ] - [ -0.0000545900000000, -0.0004054600000000, -0.0003115400000000 ] - [ 0.0001483700000000, -0.0003414200000000, -0.0002557800000000 ] - [ 0.0001473000000000, -0.0004697900000000, -0.0003781000000000 ] - [ -0.0000547800000000, -0.0004058500000000, -0.0003129500000000 ] - [ 0.0001509000000000, -0.0004071700000000, -0.0003172400000000 ] - [ -0.0000297000000000, -0.0004287600000000, -0.0004010500000000 ] - [ -0.0000258500000000, -0.0003845500000000, -0.0002232700000000 ] - [ 0.0001511500000000, -0.0004047800000000, -0.0003173400000000 ] - [ -0.0000301900000000, -0.0005547300000000, -0.0004181400000000 ] - [ -0.0000257400000000, -0.0002588700000000, -0.0002067900000000 ] - [ -0.0001074600000000, 0.0036320800000000, -0.0011484100000000 ] - [ 0.0005841200000000, 0.0033171200000000, -0.0013587600000000 ] - [ 0.0005897700000000, 0.0039559300000000, -0.0009619100000000 ] - [ 0.0002116400000000, 0.0036426100000000, -0.0011526700000000 ] - [ 0.0004976400000000, 0.0039488000000000, -0.0012639600000000 ] - [ 0.0005009300000000, 0.0033202100000000, -0.0010541700000000 ] - [ 0.0005345200000000, 0.0037454500000000, -0.0013339900000000 ] - [ -0.0000123100000000, 0.0036365300000000, -0.0011488000000000 ] - [ 0.0005408400000000, 0.0035262500000000, -0.0009849200000000 ] - [ 0.0004549800000000, 0.0033007100000000, -0.0011931700000000 ] - [ 0.0000909300000000, 0.0036339400000000, -0.0011509800000000 ] - [ 0.0004571000000000, 0.0039739900000000, -0.0011206700000000 ] - [ 0.0003365600000000, 0.0036784300000000, -0.0010973100000000 ] - [ 0.0003327400000000, 0.0035932900000000, -0.0012148600000000 ] - [ 0.0003843200000000, 0.0036355600000000, -0.0011576800000000 ] - [ 0.0003403500000000, 0.0036014900000000, -0.0010253200000000 ] - [ 0.0003336100000000, 0.0036691700000000, -0.0012862000000000 ] - [ 0.0002351700000000, 0.0036346800000000, -0.0011535000000000 ] - [ -0.0206039200000000, 0.0049145100000000, -0.0143206100000000 ] - [ 0.0021696200000000, 0.0036378300000000, 0.0011038900000000 ] - [ -0.0207492000000000, 0.0021949500000000, 0.0182007800000000 ] - [ -0.0003842200000000, 0.0036399700000000, 0.0011707200000000 ] - [ -0.0002923500000000, 0.0036355300000000, 0.0011553600000000 ] - [ -0.0003848300000000, 0.0036299800000000, 0.0011439900000000 ] - [ -0.0007793400000000, 0.0035807100000000, 0.0010630300000000 ] - [ -0.0007782100000000, 0.0036905300000000, 0.0012691700000000 ] - [ 0.0008848200000000, 0.0036358000000000, 0.0011353000000000 ] - [ -0.0003884300000000, 0.0036408600000000, 0.0011488300000000 ] - [ -0.0003884500000000, 0.0036296600000000, 0.0011659100000000 ] - [ -0.0002978900000000, 0.0036356700000000, 0.0011557600000000 ] - [ 0.0005878900000000, 0.0036361700000000, 0.0011404200000000 ] - [ 0.0004580100000000, 0.0033942700000000, 0.0035041900000000 ] - [ 0.0003726700000000, 0.0038757400000000, -0.0012039300000000 ] - [ -0.0003155600000000, 0.0036355700000000, 0.0011557200000000 ] - [ -0.0003800300000000, 0.0036170900000000, 0.0011652700000000 ] - [ -0.0003790700000000, 0.0036538100000000, 0.0011483100000000 ] - [ -0.0025648200000000, -0.0036316100000000, 0.0011964400000000 ] - [ 0.0016602700000000, -0.0048533800000000, 0.0024888800000000 ] - [ 0.0015981200000000, -0.0024263900000000, -0.0002416200000000 ] - [ -0.0004321100000000, -0.0036362900000000, 0.0011576100000000 ] - [ -0.0003213900000000, -0.0035743200000000, 0.0011818200000000 ] - [ -0.0003221700000000, -0.0036988500000000, 0.0011294300000000 ] - [ 0.0004106800000000, -0.0032876900000000, 0.0017367000000000 ] - [ -0.0012197700000000, -0.0036339200000000, 0.0011759300000000 ] - [ 0.0003828700000000, -0.0039813900000000, 0.0005526400000000 ] - [ -0.0003488700000000, -0.0036465400000000, 0.0011520900000000 ] - [ -0.0003763100000000, -0.0036367100000000, 0.0011563200000000 ] - [ -0.0003492200000000, -0.0036257500000000, 0.0011604600000000 ] - [ 0.0009737400000000, -0.0044108400000000, 0.0001930900000000 ] - [ 0.0010142400000000, -0.0028559200000000, 0.0020709300000000 ] - [ -0.0046025500000000, -0.0035322200000000, 0.0012604900000000 ] - [ -0.0003133300000000, -0.0035737600000000, 0.0011349900000000 ] - [ -0.0003131000000000, -0.0036997600000000, 0.0011755900000000 ] - [ -0.0004480600000000, -0.0036359500000000, 0.0011580500000000 ] - [ 0.0003239100000000, -0.0035629700000000, -0.0011311800000000 ] - [ 0.0003236500000000, -0.0037112000000000, -0.0011789600000000 ] - [ 0.0004669900000000, -0.0036358600000000, -0.0011584300000000 ] - [ -0.0006254000000000, -0.0033961500000000, -0.0003652600000000 ] - [ -0.0006486600000000, -0.0038754900000000, -0.0019024900000000 ] - [ 0.0012624600000000, -0.0036357300000000, -0.0011768600000000 ] - [ 0.0004286200000000, -0.0036368900000000, -0.0011576700000000 ] - [ 0.0003156300000000, -0.0036596700000000, -0.0011412500000000 ] - [ 0.0003146500000000, -0.0036119200000000, -0.0011698800000000 ] - [ 0.0008601000000000, -0.0036371500000000, -0.0011638700000000 ] - [ 0.0000813900000000, -0.0036710000000000, -0.0012558800000000 ] - [ 0.0000834300000000, -0.0036046500000000, -0.0010442300000000 ] - [ 0.0003243100000000, -0.0035647800000000, -0.0011624700000000 ] - [ 0.0004809700000000, -0.0036358900000000, -0.0011587300000000 ] - [ 0.0003236600000000, -0.0037088600000000, -0.0011499300000000 ] - [ -0.0009574200000000, -0.0043614300000000, -0.0000736100000000 ] - [ 0.0013549800000000, -0.0036392700000000, -0.0011736700000000 ] - [ -0.0010086400000000, -0.0029074200000000, -0.0021977400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002427900000000, -0.1115480300000000, 0.0169476800000000 ] - [ -0.0002035300000000, -0.0015278800000000, 0.0008632700000000 ] - [ 0.0000829400000000, -0.0015279200000000, 0.0008579500000000 ] - [ -0.0000714400000000, 0.0002209000000000, 0.0002607900000000 ] - [ -0.0000665000000000, -0.0000883600000000, 0.0002706500000000 ] - [ -0.0000768900000000, -0.0000883600000000, 0.0002709100000000 ] - [ 0.0002599100000000, -0.0005355600000000, 0.0000069100000000 ] - [ -0.0000726700000000, -0.0012640900000000, 0.0002323300000000 ] - [ -0.0004133700000000, -0.0005352600000000, 0.0000200800000000 ] - [ -0.0000594000000000, -0.0001114600000000, 0.0002684900000000 ] - [ -0.0000710800000000, -0.0000813900000000, 0.0003041400000000 ] - [ -0.0000840700000000, -0.0001113700000000, 0.0002689500000000 ] - [ -0.0001993100000000, -0.0005353500000000, 0.0005989500000000 ] - [ 0.0000680100000000, -0.0005350500000000, 0.0005938000000000 ] - [ -0.0000735100000000, -0.0012633200000000, 0.0001716600000000 ] - [ -0.0000791300000000, -0.0001117400000000, 0.0002863600000000 ] - [ -0.0000636500000000, -0.0001117800000000, 0.0002861200000000 ] - [ -0.0000715900000000, -0.0000814900000000, 0.0002754600000000 ] - [ 0.0030423200000000, 0.0001898300000000, -0.0027887700000000 ] - [ -0.0033033700000000, 0.0001906800000000, -0.0026688500000000 ] - [ -0.0000804300000000, 0.0001451300000000, -0.0001755600000000 ] - [ -0.0000891900000000, 0.0008548100000000, 0.0004571000000000 ] - [ -0.0000473400000000, 0.0008550800000000, 0.0004566500000000 ] - [ -0.0000710700000000, 0.0006607200000000, 0.0003045800000000 ] - [ -0.0000673200000000, 0.0001771200000000, 0.0005109300000000 ] - [ 0.0002179700000000, 0.0001186000000000, 0.0003991900000000 ] - [ -0.0003562600000000, 0.0001186300000000, 0.0004103300000000 ] - [ -0.0000694600000000, 0.0006998400000000, 0.0003918200000000 ] - [ -0.0000639800000000, 0.0006395400000000, 0.0003278000000000 ] - [ -0.0000774000000000, 0.0006395000000000, 0.0003281000000000 ] - [ -0.0064753700000000, 0.0001868600000000, 0.0056768700000000 ] - [ -0.0000556200000000, 0.0001444800000000, 0.0011065600000000 ] - [ 0.0065358700000000, 0.0001876900000000, 0.0054272200000000 ] - [ 0.0000391700000000, 0.0008533400000000, 0.0002801600000000 ] - [ -0.0000714200000000, 0.0006604400000000, 0.0002922000000000 ] - [ -0.0001824700000000, 0.0008536200000000, 0.0002842800000000 ] - [ 0.0000679300000000, 0.0005881800000000, -0.0004910000000000 ] - [ -0.0000028800000000, 0.0005465100000000, -0.0004143000000000 ] - [ 0.0001413600000000, 0.0005462800000000, -0.0004171200000000 ] - [ 0.0001147300000000, 0.0010395000000000, 0.0020477500000000 ] - [ 0.0009647600000000, -0.0000455400000000, 0.0004893600000000 ] - [ -0.0007891300000000, -0.0000449400000000, 0.0005220900000000 ] - [ 0.0000667300000000, 0.0008114400000000, -0.0002810000000000 ] - [ 0.0000729900000000, 0.0008555600000000, -0.0002244300000000 ] - [ 0.0000770900000000, 0.0008115600000000, -0.0002812500000000 ] - [ -0.0002289600000000, 0.0002988800000000, -0.0007014700000000 ] - [ 0.0000624800000000, 0.0001849400000000, -0.0007409800000000 ] - [ 0.0003561500000000, 0.0002983000000000, -0.0007125000000000 ] - [ -0.0000715600000000, 0.0007019300000000, -0.0004557600000000 ] - [ 0.0002085100000000, 0.0007017600000000, -0.0004612300000000 ] - [ 0.0000751400000000, 0.0011687700000000, -0.0001001900000000 ] - [ 0.0013054200000000, 0.0002823600000000, 0.0000952700000000 ] - [ -0.0011451200000000, 0.0002818300000000, 0.0001428700000000 ] - [ -0.0003698700000000, 0.0507786100000000, -0.0224885500000000 ] - [ -0.0003662100000000, 0.0003069000000000, -0.0006862500000000 ] - [ 0.0000658800000000, -0.0003674700000000, -0.0005804800000000 ] - [ 0.0004937500000000, 0.0003049800000000, -0.0007023300000000 ] - [ 0.0007111500000000, 0.0003125200000000, 0.0000096500000000 ] - [ 0.0000762600000000, -0.0003670900000000, -0.0000669700000000 ] - [ -0.0005560700000000, 0.0003105800000000, 0.0000353400000000 ] - [ 0.0001365300000000, -0.0003888600000000, -0.0002481100000000 ] - [ 0.0000089400000000, -0.0003887800000000, -0.0002458000000000 ] - [ 0.0000715500000000, -0.0004544400000000, -0.0002899400000000 ] - [ 0.0000004900000000, -0.0003889200000000, -0.0001799700000000 ] - [ 0.0001467300000000, -0.0003887900000000, -0.0001826400000000 ] - [ 0.0000715600000000, -0.0004545700000000, -0.0003170800000000 ] - [ 0.0000682200000000, -0.0002975100000000, -0.0004610100000000 ] - [ -0.0000685300000000, 0.0005319500000000, 0.0000233700000000 ] - [ 0.0002242900000000, 0.0005326600000000, 0.0000171400000000 ] - [ 0.0000731500000000, -0.0002975300000000, -0.0002164100000000 ] - [ 0.0000422600000000, 0.0005346600000000, -0.0006353500000000 ] - [ 0.0000874600000000, 0.0005354200000000, -0.0006361300000000 ] - [ 0.0003557300000000, 0.0030734600000000, -0.0012245800000000 ] - [ 0.0006728300000000, 0.0034963000000000, -0.0010075600000000 ] - [ 0.0000471900000000, 0.0034964200000000, -0.0009956300000000 ] - [ 0.0003414100000000, 0.0002332200000000, -0.0020153900000000 ] - [ 0.0000309900000000, 0.0035181100000000, -0.0012570300000000 ] - [ 0.0006786200000000, 0.0035182700000000, -0.0012694600000000 ] - [ 0.0002203200000000, 0.0035178100000000, -0.0010117000000000 ] - [ 0.0003602800000000, 0.0036298700000000, -0.0009812800000000 ] - [ 0.0004996200000000, 0.0035176800000000, -0.0010168100000000 ] - [ 0.0006095700000000, 0.0036444200000000, -0.0015189200000000 ] - [ 0.0003497600000000, 0.0034254300000000, -0.0015533600000000 ] - [ 0.0000900700000000, 0.0036442300000000, -0.0015095800000000 ] - [ 0.0008078800000000, 0.0030987700000000, -0.0016674100000000 ] - [ -0.0001127300000000, 0.0030993100000000, -0.0016492300000000 ] - [ 0.0003462200000000, 0.0030322100000000, -0.0017081300000000 ] - [ -0.0000336600000000, 0.0034664500000000, -0.0008230200000000 ] - [ 0.0007599100000000, 0.0034665400000000, -0.0008384600000000 ] - [ 0.0003609300000000, 0.0035505100000000, -0.0009717300000000 ] - [ -0.0043324800000000, 0.0078891700000000, -0.0031556400000000 ] - [ -0.0003587500000000, 0.0040804000000000, 0.0010898500000000 ] - [ 0.0034478600000000, 0.0078917400000000, -0.0033043900000000 ] - [ -0.0003537900000000, 0.0031980300000000, 0.0012183900000000 ] - [ -0.0003565200000000, 0.0033605800000000, 0.0012024800000000 ] - [ -0.0003588600000000, 0.0031982000000000, 0.0012185600000000 ] - [ -0.0004161000000000, 0.0040532800000000, 0.0010592000000000 ] - [ -0.0003020200000000, 0.0040531500000000, 0.0010569600000000 ] - [ -0.0003590100000000, 0.0039749000000000, 0.0010627300000000 ] - [ -0.0003441000000000, 0.0033748200000000, 0.0011763100000000 ] - [ -0.0003700200000000, 0.0033748000000000, 0.0011768800000000 ] - [ -0.0003568100000000, 0.0033045300000000, 0.0011896300000000 ] - [ -0.0003618800000000, 0.0040492400000000, 0.0009102200000000 ] - [ 0.0000644700000000, 0.0050587700000000, 0.0012246000000000 ] - [ -0.0007736400000000, 0.0050569100000000, 0.0012383400000000 ] - [ -0.0003564300000000, 0.0033562800000000, 0.0012128600000000 ] - [ -0.0003860200000000, 0.0032285400000000, 0.0012002600000000 ] - [ -0.0003272500000000, 0.0032287400000000, 0.0011990200000000 ] - [ -0.0003467600000000, -0.0032406400000000, 0.0017048400000000 ] - [ -0.0006207500000000, -0.0028847200000000, 0.0008702000000000 ] - [ -0.0001037900000000, -0.0028848500000000, 0.0008602000000000 ] - [ -0.0003598400000000, -0.0040233200000000, 0.0009885300000000 ] - [ -0.0004051900000000, -0.0039568200000000, 0.0010676400000000 ] - [ -0.0003116500000000, -0.0039568000000000, 0.0010659500000000 ] - [ -0.0004296300000000, -0.0032365500000000, 0.0010436600000000 ] - [ -0.0003642600000000, -0.0033642000000000, 0.0007682400000000 ] - [ -0.0002879300000000, -0.0032371400000000, 0.0010406700000000 ] - [ -0.0003676700000000, -0.0039060700000000, 0.0011176400000000 ] - [ -0.0003559700000000, -0.0038969100000000, 0.0011857200000000 ] - [ -0.0003471800000000, -0.0039060100000000, 0.0011172400000000 ] - [ 0.0004633600000000, -0.0031552400000000, 0.0010298700000000 ] - [ -0.0011809700000000, -0.0031553100000000, 0.0010618700000000 ] - [ -0.0002417600000000, 0.0481613100000000, 0.0073325800000000 ] - [ -0.0004367900000000, -0.0039274500000000, 0.0011440200000000 ] - [ -0.0002771400000000, -0.0039273200000000, 0.0011409400000000 ] - [ -0.0003572500000000, -0.0042973200000000, 0.0011143300000000 ] - [ 0.0002525700000000, -0.0040950200000000, -0.0009041500000000 ] - [ 0.0004721200000000, -0.0040955800000000, -0.0009082900000000 ] - [ 0.0003607600000000, -0.0038285000000000, -0.0010001600000000 ] - [ 0.0007809800000000, -0.0034564300000000, -0.0017803600000000 ] - [ -0.0000878300000000, -0.0034563100000000, -0.0017623200000000 ] - [ 0.0003514900000000, -0.0034500300000000, -0.0014631900000000 ] - [ 0.0003555100000000, -0.0037756300000000, -0.0012665100000000 ] - [ 0.0002949600000000, -0.0038302200000000, -0.0011983500000000 ] - [ 0.0004186500000000, -0.0038304300000000, -0.0012006500000000 ] - [ 0.0003593500000000, -0.0034920900000000, -0.0010737800000000 ] - [ 0.0004581800000000, -0.0034629700000000, -0.0012384200000000 ] - [ 0.0002543100000000, -0.0034628600000000, -0.0012344800000000 ] - [ 0.0005070700000000, -0.0042404000000000, -0.0012248600000000 ] - [ 0.0003585000000000, -0.0038533800000000, -0.0011113800000000 ] - [ 0.0002053900000000, -0.0042404200000000, -0.0012192700000000 ] - [ -0.0020641800000000, -0.0045006100000000, 0.0006296200000000 ] - [ 0.0003573900000000, -0.0035150000000000, -0.0011590300000000 ] - [ 0.0028470000000000, -0.0044998400000000, 0.0005347800000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003600500000000, 0.1114600800000000, -0.0148524800000000 ] - [ 0.0000497500000000, 0.0007281200000000, -0.0002311900000000 ] - [ -0.0002135300000000, 0.0007287800000000, -0.0002264000000000 ] - [ -0.0000707000000000, -0.0010212200000000, 0.0003615800000000 ] - [ -0.0000765100000000, -0.0007126300000000, 0.0003549000000000 ] - [ -0.0000644600000000, -0.0007130500000000, 0.0003546200000000 ] - [ -0.0003978500000000, -0.0002650900000000, 0.0006125100000000 ] - [ -0.0000692500000000, 0.0004647400000000, 0.0003871700000000 ] - [ 0.0002661800000000, -0.0002655900000000, 0.0005992000000000 ] - [ -0.0000825800000000, -0.0006897300000000, 0.0003568000000000 ] - [ -0.0000710200000000, -0.0007202600000000, 0.0003210700000000 ] - [ -0.0000582500000000, -0.0006904900000000, 0.0003561500000000 ] - [ 0.0000556000000000, -0.0002646800000000, 0.0000263000000000 ] - [ -0.0002086900000000, -0.0002652100000000, 0.0000316900000000 ] - [ -0.0000684300000000, 0.0004648300000000, 0.0004572600000000 ] - [ -0.0000636800000000, -0.0006893700000000, 0.0003387100000000 ] - [ -0.0000777700000000, -0.0006894100000000, 0.0003391800000000 ] - [ -0.0000704600000000, -0.0007205800000000, 0.0003505700000000 ] - [ -0.0032094400000000, 0.0006019600000000, 0.0034397400000000 ] - [ 0.0031870400000000, 0.0006014500000000, 0.0033187800000000 ] - [ -0.0000619700000000, 0.0006593300000000, 0.0008013300000000 ] - [ -0.0000523800000000, -0.0000502000000000, 0.0001682600000000 ] - [ -0.0000951600000000, -0.0000509700000000, 0.0001688300000000 ] - [ -0.0000715100000000, 0.0001447600000000, 0.0003221400000000 ] - [ -0.0000749000000000, 0.0006252900000000, 0.0001136600000000 ] - [ -0.0003609000000000, 0.0006840400000000, 0.0002262200000000 ] - [ 0.0002146100000000, 0.0006836900000000, 0.0002149100000000 ] - [ -0.0000727900000000, 0.0001034100000000, 0.0002342000000000 ] - [ -0.0000778400000000, 0.0001638500000000, 0.0002986000000000 ] - [ -0.0000651300000000, 0.0001638600000000, 0.0002980700000000 ] - [ 0.0063665000000000, 0.0005990500000000, -0.0050799200000000 ] - [ -0.0000866800000000, 0.0006581700000000, -0.0004852700000000 ] - [ -0.0067126400000000, 0.0005983800000000, -0.0048291100000000 ] - [ -0.0001829900000000, -0.0000513100000000, 0.0003456700000000 ] - [ -0.0000705200000000, 0.0001437600000000, 0.0003326600000000 ] - [ 0.0000413300000000, -0.0000519900000000, 0.0003412200000000 ] - [ 0.0000744400000000, 0.0002129200000000, -0.0001348300000000 ] - [ 0.0001442900000000, 0.0002548000000000, -0.0002106600000000 ] - [ 0.0000017900000000, 0.0002547800000000, -0.0002077800000000 ] - [ 0.0000282900000000, -0.0002339600000000, -0.0026520500000000 ] - [ -0.0008156700000000, 0.0008468900000000, -0.0011074600000000 ] - [ 0.0009243500000000, 0.0008459200000000, -0.0011398600000000 ] - [ 0.0000759400000000, -0.0000113100000000, -0.0003434100000000 ] - [ 0.0000693000000000, -0.0000553200000000, -0.0003998600000000 ] - [ 0.0000646500000000, -0.0000115600000000, -0.0003431300000000 ] - [ 0.0003726800000000, 0.0005056600000000, 0.0000793700000000 ] - [ 0.0000798900000000, 0.0006202800000000, 0.0001175200000000 ] - [ -0.0002155000000000, 0.0005062800000000, 0.0000904000000000 ] - [ 0.0002119700000000, 0.0000993700000000, -0.0001694400000000 ] - [ -0.0000646100000000, 0.0000999600000000, -0.0001641800000000 ] - [ 0.0000671100000000, -0.0003637300000000, -0.0005190600000000 ] - [ -0.0011618400000000, 0.0005213700000000, -0.0007253400000000 ] - [ 0.0012858400000000, 0.0005221800000000, -0.0007729500000000 ] - [ 0.0004990400000000, -0.0486247100000000, 0.0212066000000000 ] - [ 0.0005038600000000, -0.0011106100000000, 0.0000557000000000 ] - [ 0.0000763200000000, -0.0004325300000000, -0.0000444300000000 ] - [ -0.0003469300000000, -0.0011081200000000, 0.0000717800000000 ] - [ -0.0005758800000000, -0.0011050500000000, -0.0006450600000000 ] - [ 0.0000658600000000, -0.0004334500000000, -0.0005594500000000 ] - [ 0.0007050900000000, -0.0011038300000000, -0.0006717600000000 ] - [ 0.0000055500000000, -0.0004115300000000, -0.0003774700000000 ] - [ 0.0001332700000000, -0.0004108900000000, -0.0003798100000000 ] - [ 0.0000709500000000, -0.0003458900000000, -0.0003358600000000 ] - [ 0.0001412800000000, -0.0004122200000000, -0.0004434600000000 ] - [ -0.0000038100000000, -0.0004123600000000, -0.0004413300000000 ] - [ 0.0000707100000000, -0.0003465200000000, -0.0003043000000000 ] - [ 0.0000742700000000, -0.0005029600000000, -0.0001643100000000 ] - [ 0.0002136200000000, -0.0013403100000000, -0.0006485500000000 ] - [ -0.0000846000000000, -0.0013407400000000, -0.0006418500000000 ] - [ 0.0000695600000000, -0.0005036300000000, -0.0004113700000000 ] - [ 0.0000987100000000, -0.0013381300000000, 0.0000103500000000 ] - [ 0.0000556400000000, -0.0013394400000000, 0.0000111400000000 ] - [ 0.0003577800000000, 0.0041823500000000, -0.0010936900000000 ] - [ 0.0000402600000000, 0.0037809300000000, -0.0013078500000000 ] - [ 0.0006672400000000, 0.0037811200000000, -0.0013197200000000 ] - [ 0.0003727300000000, 0.0070740100000000, -0.0003040200000000 ] - [ 0.0006827500000000, 0.0037562100000000, -0.0010562800000000 ] - [ 0.0000347700000000, 0.0037556600000000, -0.0010443300000000 ] - [ 0.0004937200000000, 0.0037579400000000, -0.0013043600000000 ] - [ 0.0003537200000000, 0.0036452400000000, -0.0013349800000000 ] - [ 0.0002134100000000, 0.0037583000000000, -0.0012988900000000 ] - [ 0.0001066600000000, 0.0036309100000000, -0.0008004100000000 ] - [ 0.0003641100000000, 0.0038477700000000, -0.0007655600000000 ] - [ 0.0006207500000000, 0.0036302800000000, -0.0008096200000000 ] - [ -0.0000948500000000, 0.0041788500000000, -0.0006472000000000 ] - [ 0.0008271000000000, 0.0041775000000000, -0.0006654300000000 ] - [ 0.0003674200000000, 0.0042464500000000, -0.0006060100000000 ] - [ 0.0007515600000000, 0.0038123300000000, -0.0014964200000000 ] - [ -0.0000498300000000, 0.0038101500000000, -0.0014801300000000 ] - [ 0.0003520400000000, 0.0037247900000000, -0.0013445200000000 ] - [ 0.0034915600000000, -0.0005332000000000, 0.0053693500000000 ] - [ -0.0003563900000000, 0.0031940000000000, 0.0012258200000000 ] - [ -0.0040408800000000, -0.0005340300000000, 0.0055130500000000 ] - [ -0.0003613900000000, 0.0040769400000000, 0.0010982800000000 ] - [ -0.0003587600000000, 0.0039153100000000, 0.0011142900000000 ] - [ -0.0003556700000000, 0.0040762400000000, 0.0010984100000000 ] - [ -0.0002985700000000, 0.0032218600000000, 0.0012569600000000 ] - [ -0.0004130600000000, 0.0032219600000000, 0.0012591800000000 ] - [ -0.0003560500000000, 0.0032998300000000, 0.0012538700000000 ] - [ -0.0003706500000000, 0.0039003800000000, 0.0011400100000000 ] - [ -0.0003451200000000, 0.0039004700000000, 0.0011394700000000 ] - [ -0.0003583000000000, 0.0039724200000000, 0.0011269000000000 ] - [ -0.0003533000000000, 0.0032245200000000, 0.0014068100000000 ] - [ -0.0007651600000000, 0.0022271600000000, 0.0011070900000000 ] - [ 0.0000453100000000, 0.0022290500000000, 0.0010939800000000 ] - [ -0.0003582200000000, 0.0039200900000000, 0.0011027400000000 ] - [ -0.0003305600000000, 0.0040478700000000, 0.0011153500000000 ] - [ -0.0003866400000000, 0.0040475700000000, 0.0011169300000000 ] - [ -0.0003664000000000, -0.0040337000000000, 0.0006086900000000 ] - [ -0.0000946300000000, -0.0043914000000000, 0.0014452800000000 ] - [ -0.0006087100000000, -0.0043909900000000, 0.0014558700000000 ] - [ -0.0003540700000000, -0.0032504800000000, 0.0013269300000000 ] - [ -0.0003090400000000, -0.0033164500000000, 0.0012484900000000 ] - [ -0.0004012400000000, -0.0033173700000000, 0.0012501100000000 ] - [ -0.0002830100000000, -0.0040386000000000, 0.0012728800000000 ] - [ -0.0003494000000000, -0.0039097300000000, 0.0015474700000000 ] - [ -0.0004266300000000, -0.0040381100000000, 0.0012760500000000 ] - [ -0.0003460600000000, -0.0033661600000000, 0.0011979800000000 ] - [ -0.0003578700000000, -0.0033763600000000, 0.0011291000000000 ] - [ -0.0003663800000000, -0.0033671900000000, 0.0011982300000000 ] - [ -0.0011823300000000, -0.0041183500000000, 0.0012860800000000 ] - [ 0.0004724900000000, -0.0041185700000000, 0.0012537000000000 ] - [ -0.0004827500000000, -0.0578020900000000, -0.0056032800000000 ] - [ -0.0002762700000000, -0.0033459600000000, 0.0011731000000000 ] - [ -0.0004368000000000, -0.0033464100000000, 0.0011760700000000 ] - [ -0.0003565300000000, -0.0029720500000000, 0.0012039200000000 ] - [ 0.0004616500000000, -0.0031782800000000, -0.0014105600000000 ] - [ 0.0002439300000000, -0.0031776300000000, -0.0014062000000000 ] - [ 0.0003541200000000, -0.0034433800000000, -0.0013160700000000 ] - [ -0.0000652700000000, -0.0038284600000000, -0.0005344600000000 ] - [ 0.0008025000000000, -0.0038279100000000, -0.0005523900000000 ] - [ 0.0003633000000000, -0.0038227500000000, -0.0008541300000000 ] - [ 0.0003600200000000, -0.0034964800000000, -0.0010496600000000 ] - [ 0.0004201800000000, -0.0034422100000000, -0.0011174800000000 ] - [ 0.0002958700000000, -0.0034415200000000, -0.0011158500000000 ] - [ 0.0003561900000000, -0.0037816500000000, -0.0012455200000000 ] - [ 0.0002566800000000, -0.0038109300000000, -0.0010790600000000 ] - [ 0.0004603100000000, -0.0038099300000000, -0.0010836700000000 ] - [ 0.0002089300000000, -0.0030326100000000, -0.0010927500000000 ] - [ 0.0003564000000000, -0.0034192700000000, -0.0012047300000000 ] - [ 0.0005088900000000, -0.0030321700000000, -0.0010982700000000 ] - [ 0.0027955900000000, -0.0027566700000000, -0.0029677700000000 ] - [ 0.0003576100000000, -0.0037580400000000, -0.0011561900000000 ] - [ -0.0021491000000000, -0.0027567300000000, -0.0028724400000000 ]- atom: 1 displacement: [ -0.0066099205844607, 0.0000000000000000, 0.0075039289620253 ] forces: - [ 0.0367269400000000, 0.0114436100000000, -0.0376878200000000 ] - [ -0.0039502100000000, -0.0000986500000000, -0.0023323600000000 ] - [ -0.0075508400000000, 0.0000876900000000, -0.0055006600000000 ] - [ -0.0000455300000000, -0.0004433200000000, 0.0001974000000000 ] - [ -0.0001150300000000, -0.0004334500000000, 0.0002996600000000 ] - [ -0.0000640400000000, -0.0004406600000000, 0.0003434200000000 ] - [ -0.0024283000000000, -0.0001085200000000, 0.0038526200000000 ] - [ 0.0022338700000000, -0.0005147600000000, 0.0031007700000000 ] - [ -0.0008228400000000, -0.0002877400000000, -0.0000434300000000 ] - [ -0.0000842300000000, -0.0004204500000000, 0.0003673600000000 ] - [ -0.0000626300000000, -0.0004348300000000, 0.0003486500000000 ] - [ -0.0000684400000000, -0.0004307500000000, 0.0002922700000000 ] - [ -0.0036844000000000, -0.0008475400000000, 0.0027098500000000 ] - [ 0.0004708400000000, -0.0003985900000000, 0.0010947700000000 ] - [ 0.0022038700000000, -0.0004625200000000, 0.0030747400000000 ] - [ -0.0001171300000000, -0.0004478800000000, 0.0003393500000000 ] - [ -0.0000353600000000, -0.0004310600000000, 0.0003219600000000 ] - [ -0.0000625400000000, -0.0004119700000000, 0.0003482500000000 ] - [ 0.0005394100000000, -0.0078902500000000, 0.0025061600000000 ] - [ 0.0004018700000000, 0.0009497500000000, -0.0007211900000000 ] - [ -0.0011713500000000, -0.0001814500000000, 0.0000083000000000 ] - [ -0.0000640600000000, 0.0005054200000000, 0.0003441400000000 ] - [ -0.0000365900000000, 0.0003535500000000, 0.0002140200000000 ] - [ -0.0001150700000000, 0.0004218900000000, 0.0003433900000000 ] - [ -0.0007755000000000, 0.0002603500000000, 0.0011286400000000 ] - [ 0.0002537600000000, 0.0001448900000000, 0.0011330900000000 ] - [ 0.0002077700000000, 0.0005315600000000, 0.0010894900000000 ] - [ -0.0000664100000000, 0.0003470700000000, 0.0002938600000000 ] - [ -0.0000618000000000, 0.0003916400000000, 0.0003736800000000 ] - [ -0.0000843600000000, 0.0004004000000000, 0.0003537100000000 ] - [ -0.0012843200000000, 0.0047734100000000, 0.0008989800000000 ] - [ -0.0011720400000000, 0.0007655400000000, 0.0000057200000000 ] - [ 0.0022407000000000, 0.0005076100000000, 0.0009026000000000 ] - [ -0.0001210200000000, 0.0002860800000000, 0.0002942100000000 ] - [ -0.0001145700000000, 0.0004130100000000, 0.0003427200000000 ] - [ 0.0000199500000000, 0.0003131400000000, 0.0002629300000000 ] - [ 0.0001347700000000, 0.0002746600000000, -0.0004157100000000 ] - [ -0.0000014000000000, 0.0003784800000000, -0.0003038100000000 ] - [ 0.0000711500000000, 0.0002816300000000, -0.0003720400000000 ] - [ 0.0007827900000000, 0.0021461400000000, 0.0001171100000000 ] - [ -0.0003252600000000, 0.0004150100000000, -0.0001462500000000 ] - [ 0.0000662200000000, 0.0015942500000000, -0.0005157100000000 ] - [ 0.0000711400000000, 0.0004324800000000, -0.0002558000000000 ] - [ 0.0000704600000000, 0.0004711800000000, -0.0002064800000000 ] - [ 0.0000711000000000, 0.0004236700000000, -0.0002555600000000 ] - [ 0.0000725900000000, 0.0003130400000000, -0.0000122900000000 ] - [ 0.0000730600000000, 0.0000925400000000, 0.0000863200000000 ] - [ 0.0001824300000000, -0.0000784800000000, -0.0001211700000000 ] - [ -0.0000081700000000, 0.0003922600000000, -0.0002825500000000 ] - [ 0.0001597800000000, 0.0002043800000000, -0.0004416300000000 ] - [ 0.0000215100000000, 0.0005619500000000, -0.0000953200000000 ] - [ -0.0004885500000000, -0.0000963500000000, -0.0002209100000000 ] - [ 0.0006834000000000, 0.0015564900000000, -0.0013331500000000 ] - [ 0.0016540100000000, -0.0157187700000000, 0.0047493200000000 ] - [ -0.0000798900000000, -0.0002235800000000, -0.0003590300000000 ] - [ -0.0000762300000000, -0.0005884200000000, -0.0003690500000000 ] - [ 0.0003248600000000, -0.0010903200000000, -0.0010971200000000 ] - [ -0.0002720900000000, -0.0004169200000000, -0.0005287900000000 ] - [ -0.0000760700000000, -0.0002096700000000, -0.0003685600000000 ] - [ 0.0005170800000000, 0.0001648600000000, -0.0009262700000000 ] - [ 0.0000818900000000, -0.0005518200000000, -0.0001203900000000 ] - [ 0.0001694100000000, -0.0004543600000000, -0.0002486100000000 ] - [ -0.0000122200000000, -0.0004010600000000, -0.0001959300000000 ] - [ 0.0000574500000000, -0.0004101400000000, -0.0001418100000000 ] - [ 0.0001937900000000, -0.0004970100000000, -0.0002283800000000 ] - [ -0.0000120600000000, -0.0004220100000000, -0.0001970900000000 ] - [ 0.0001226800000000, -0.0004789200000000, -0.0004799100000000 ] - [ 0.0000833800000000, -0.0001819100000000, -0.0002118100000000 ] - [ -0.0000694700000000, -0.0001555800000000, -0.0000909500000000 ] - [ 0.0001228800000000, -0.0002961700000000, -0.0004804200000000 ] - [ 0.0000705600000000, -0.0007537000000000, -0.0002234900000000 ] - [ -0.0000569100000000, -0.0005515100000000, -0.0000789500000000 ] - [ 0.0000483500000000, 0.0033180300000000, -0.0009115300000000 ] - [ 0.0005648100000000, 0.0036490800000000, -0.0010964600000000 ] - [ 0.0004675400000000, 0.0040816000000000, -0.0008249400000000 ] - [ 0.0002671500000000, 0.0052693400000000, -0.0007404000000000 ] - [ 0.0005141700000000, 0.0037011800000000, -0.0010003000000000 ] - [ 0.0004009600000000, 0.0032760800000000, -0.0008551500000000 ] - [ 0.0005360900000000, 0.0037667800000000, -0.0013930500000000 ] - [ 0.0001033000000000, 0.0038267100000000, -0.0013069600000000 ] - [ 0.0004182600000000, 0.0036186400000000, -0.0011540400000000 ] - [ 0.0003375700000000, 0.0032477600000000, -0.0012225800000000 ] - [ 0.0001743900000000, 0.0032153000000000, -0.0013056100000000 ] - [ 0.0005081900000000, 0.0037010100000000, -0.0011764900000000 ] - [ 0.0004838300000000, 0.0036183400000000, -0.0012039900000000 ] - [ 0.0001949700000000, 0.0035586900000000, -0.0012791400000000 ] - [ 0.0003723700000000, 0.0034825300000000, -0.0013626900000000 ] - [ 0.0005168900000000, 0.0037551700000000, -0.0012139900000000 ] - [ 0.0001636700000000, 0.0038017600000000, -0.0013835100000000 ] - [ 0.0002724900000000, 0.0037185500000000, -0.0012800100000000 ] - [ -0.0028468500000000, 0.0029330300000000, 0.0038574800000000 ] - [ 0.0013623500000000, 0.0036206500000000, 0.0018048700000000 ] - [ -0.0255997400000000, 0.0009499900000000, 0.0269089500000000 ] - [ -0.0003447500000000, 0.0036581700000000, 0.0012215200000000 ] - [ -0.0003133900000000, 0.0036645000000000, 0.0011793800000000 ] - [ -0.0004043700000000, 0.0036512900000000, 0.0012045400000000 ] - [ -0.0005114800000000, 0.0037328900000000, 0.0004153700000000 ] - [ -0.0007985600000000, 0.0038064300000000, 0.0005613500000000 ] - [ 0.0004671000000000, 0.0036770700000000, 0.0005125200000000 ] - [ -0.0003803300000000, 0.0036702600000000, 0.0011057000000000 ] - [ -0.0003781300000000, 0.0036622600000000, 0.0011171200000000 ] - [ -0.0003181700000000, 0.0036959200000000, 0.0011202000000000 ] - [ 0.0002832400000000, 0.0035612800000000, 0.0014038900000000 ] - [ -0.0014993700000000, 0.0036262300000000, 0.0012118000000000 ] - [ 0.0017580800000000, 0.0039463500000000, -0.0020091200000000 ] - [ -0.0003288400000000, 0.0036522500000000, 0.0011667000000000 ] - [ -0.0004172800000000, 0.0036580100000000, 0.0011488900000000 ] - [ -0.0003282600000000, 0.0036825000000000, 0.0011356700000000 ] - [ -0.0018685600000000, -0.0030039700000000, 0.0002667700000000 ] - [ 0.0004293300000000, -0.0038242200000000, 0.0012425100000000 ] - [ 0.0015044200000000, -0.0021871300000000, -0.0006214500000000 ] - [ -0.0004070200000000, -0.0036815700000000, 0.0011889400000000 ] - [ -0.0003008900000000, -0.0036106400000000, 0.0011938300000000 ] - [ -0.0003648200000000, -0.0036956600000000, 0.0011597400000000 ] - [ -0.0004354000000000, -0.0037505100000000, 0.0007290200000000 ] - [ -0.0009485100000000, -0.0039550700000000, 0.0004134100000000 ] - [ 0.0006964900000000, -0.0042138000000000, -0.0000810300000000 ] - [ -0.0003707800000000, -0.0036224300000000, 0.0011257600000000 ] - [ -0.0003709800000000, -0.0036064400000000, 0.0010887700000000 ] - [ -0.0003339200000000, -0.0036088600000000, 0.0011304900000000 ] - [ 0.0005179400000000, -0.0038496100000000, 0.0016780000000000 ] - [ 0.0006404500000000, -0.0027986200000000, 0.0029538300000000 ] - [ -0.0031970400000000, 0.0014398800000000, 0.0035581600000000 ] - [ -0.0002870200000000, -0.0035780700000000, 0.0011830900000000 ] - [ -0.0003657600000000, -0.0036637500000000, 0.0012122600000000 ] - [ -0.0004168300000000, -0.0034488100000000, 0.0012612300000000 ] - [ 0.0002890800000000, -0.0036064800000000, -0.0010449200000000 ] - [ 0.0003841800000000, -0.0037064500000000, -0.0010789800000000 ] - [ 0.0004319300000000, -0.0035802500000000, -0.0011315800000000 ] - [ -0.0012675400000000, -0.0034132300000000, 0.0005324700000000 ] - [ 0.0006787300000000, -0.0037379500000000, -0.0005472900000000 ] - [ 0.0009711600000000, -0.0038464600000000, -0.0010604800000000 ] - [ 0.0004033200000000, -0.0035775500000000, -0.0012797800000000 ] - [ 0.0003167200000000, -0.0035872400000000, -0.0012518400000000 ] - [ 0.0003368200000000, -0.0035550500000000, -0.0012721200000000 ] - [ 0.0006851300000000, -0.0034563600000000, -0.0016422700000000 ] - [ 0.0001960100000000, -0.0035110000000000, -0.0017298100000000 ] - [ 0.0001299400000000, -0.0034671700000000, -0.0015849500000000 ] - [ 0.0004011600000000, -0.0036362200000000, -0.0011881900000000 ] - [ 0.0004417100000000, -0.0035355300000000, -0.0011006500000000 ] - [ 0.0002675600000000, -0.0037343600000000, -0.0011774600000000 ] - [ -0.0001031700000000, -0.0040872300000000, -0.0004826300000000 ] - [ 0.0010403200000000, -0.0039892600000000, -0.0006307400000000 ] - [ -0.0009908600000000, -0.0031071000000000, -0.0018970900000000 ]- atom: 1 displacement: [ 0.0066099205844607, 0.0000000000000000, -0.0075039289620253 ] forces: - [ -0.0352014200000000, -0.0120273100000000, 0.0369926400000000 ] - [ 0.0038304600000000, -0.0007147800000000, 0.0029961800000000 ] - [ 0.0073654300000000, -0.0008980200000000, 0.0061127300000000 ] - [ -0.0000959900000000, -0.0003668900000000, 0.0004278100000000 ] - [ -0.0000274400000000, -0.0003767600000000, 0.0003268700000000 ] - [ -0.0000773100000000, -0.0003690200000000, 0.0002822300000000 ] - [ 0.0022941200000000, -0.0007037300000000, -0.0032426600000000 ] - [ -0.0023678600000000, -0.0003008400000000, -0.0024609300000000 ] - [ 0.0006743600000000, -0.0005243500000000, 0.0006521800000000 ] - [ -0.0000575800000000, -0.0003889700000000, 0.0002580800000000 ] - [ -0.0000790000000000, -0.0003762300000000, 0.0002771300000000 ] - [ -0.0000733800000000, -0.0003789900000000, 0.0003323800000000 ] - [ 0.0036041800000000, 0.0000432700000000, -0.0021252400000000 ] - [ -0.0006016000000000, -0.0004113800000000, -0.0004726200000000 ] - [ -0.0023940100000000, -0.0003469700000000, -0.0024830300000000 ] - [ -0.0000252200000000, -0.0003639200000000, 0.0002871400000000 ] - [ -0.0001057000000000, -0.0003803700000000, 0.0003043000000000 ] - [ -0.0000791000000000, -0.0003974800000000, 0.0002772300000000 ] - [ -0.0006939000000000, 0.0086672300000000, -0.0018567700000000 ] - [ -0.0005442400000000, -0.0001138600000000, 0.0013296300000000 ] - [ 0.0010296700000000, 0.0009908200000000, 0.0006236900000000 ] - [ -0.0000768400000000, 0.0003066400000000, 0.0002829900000000 ] - [ -0.0001054100000000, 0.0004563400000000, 0.0004116000000000 ] - [ -0.0000273900000000, 0.0003884400000000, 0.0002832000000000 ] - [ 0.0006449400000000, 0.0005507700000000, -0.0005144900000000 ] - [ -0.0004013600000000, 0.0006664900000000, -0.0005105500000000 ] - [ -0.0003521000000000, 0.0002762200000000, -0.0004701300000000 ] - [ -0.0000749900000000, 0.0004615800000000, 0.0003308900000000 ] - [ -0.0000798300000000, 0.0004194900000000, 0.0002531200000000 ] - [ -0.0000581300000000, 0.0004107600000000, 0.0002727900000000 ] - [ 0.0011303700000000, -0.0040350000000000, -0.0002493800000000 ] - [ 0.0010294200000000, 0.0000420500000000, 0.0006214500000000 ] - [ -0.0023548700000000, 0.0003022900000000, -0.0002606200000000 ] - [ -0.0000217800000000, 0.0005246400000000, 0.0003331100000000 ] - [ -0.0000270000000000, 0.0003989200000000, 0.0002832000000000 ] - [ -0.0001610800000000, 0.0004955800000000, 0.0003624300000000 ] - [ 0.0000084900000000, 0.0005352500000000, -0.0002120800000000 ] - [ 0.0001430600000000, 0.0004318500000000, -0.0003227100000000 ] - [ 0.0000717800000000, 0.0005285500000000, -0.0002542300000000 ] - [ -0.0006326700000000, -0.0013256000000000, -0.0007487200000000 ] - [ 0.0004641700000000, 0.0003917400000000, -0.0004808500000000 ] - [ 0.0000757600000000, -0.0007868800000000, -0.0001077500000000 ] - [ 0.0000713100000000, 0.0003776900000000, -0.0003701300000000 ] - [ 0.0000720200000000, 0.0003397200000000, -0.0004198800000000 ] - [ 0.0000716600000000, 0.0003839600000000, -0.0003706200000000 ] - [ 0.0000711500000000, 0.0004985400000000, -0.0006108300000000 ] - [ 0.0000697400000000, 0.0007238000000000, -0.0007118000000000 ] - [ -0.0000434800000000, 0.0009003800000000, -0.0005062100000000 ] - [ 0.0001497000000000, 0.0004180400000000, -0.0003436500000000 ] - [ -0.0000156700000000, 0.0006056900000000, -0.0001855400000000 ] - [ 0.0001203100000000, 0.0002510900000000, -0.0005287900000000 ] - [ 0.0006303600000000, 0.0009162700000000, -0.0004063500000000 ] - [ -0.0005327400000000, -0.0007395400000000, 0.0007033200000000 ] - [ -0.0015837000000000, 0.0164848000000000, -0.0052633300000000 ] - [ 0.0002196500000000, -0.0005803300000000, -0.0002655400000000 ] - [ 0.0002184000000000, -0.0002228100000000, -0.0002580200000000 ] - [ -0.0001792200000000, 0.0002751800000000, 0.0004647800000000 ] - [ 0.0004119500000000, -0.0003963800000000, -0.0000968700000000 ] - [ 0.0002182700000000, -0.0006021900000000, -0.0002578800000000 ] - [ -0.0003717200000000, -0.0009701300000000, 0.0002968100000000 ] - [ 0.0000612100000000, -0.0002590200000000, -0.0005051300000000 ] - [ -0.0000263900000000, -0.0003575500000000, -0.0003795200000000 ] - [ 0.0001534700000000, -0.0004087500000000, -0.0004295400000000 ] - [ 0.0000842700000000, -0.0003976300000000, -0.0004847200000000 ] - [ -0.0000494900000000, -0.0003111800000000, -0.0004004300000000 ] - [ 0.0001539600000000, -0.0003857500000000, -0.0004302900000000 ] - [ 0.0000216200000000, -0.0003328900000000, -0.0001471700000000 ] - [ 0.0000582200000000, -0.0006259100000000, -0.0004119500000000 ] - [ 0.0002118500000000, -0.0006589600000000, -0.0005368100000000 ] - [ 0.0000213100000000, -0.0005122900000000, -0.0001474300000000 ] - [ 0.0000704800000000, -0.0000605000000000, -0.0004014100000000 ] - [ 0.0001997300000000, -0.0002591700000000, -0.0005470400000000 ] - [ 0.0006657200000000, 0.0039549300000000, -0.0014123500000000 ] - [ 0.0001504400000000, 0.0036285300000000, -0.0012264200000000 ] - [ 0.0002455400000000, 0.0031979900000000, -0.0014946900000000 ] - [ 0.0004480700000000, 0.0020236800000000, -0.0015789300000000 ] - [ 0.0002004200000000, 0.0035740800000000, -0.0013225200000000 ] - [ 0.0003128400000000, 0.0039986100000000, -0.0014653600000000 ] - [ 0.0001787700000000, 0.0035125100000000, -0.0009287400000000 ] - [ 0.0006089000000000, 0.0034522800000000, -0.0010127100000000 ] - [ 0.0002962200000000, 0.0036601000000000, -0.0011658200000000 ] - [ 0.0003748500000000, 0.0040333800000000, -0.0010958100000000 ] - [ 0.0005394100000000, 0.0040582200000000, -0.0010139600000000 ] - [ 0.0002065200000000, 0.0035776800000000, -0.0011418500000000 ] - [ 0.0002302100000000, 0.0036621400000000, -0.0011174100000000 ] - [ 0.0005161900000000, 0.0037173300000000, -0.0010446700000000 ] - [ 0.0003436300000000, 0.0037957500000000, -0.0009607900000000 ] - [ 0.0001992400000000, 0.0035208900000000, -0.0011089200000000 ] - [ 0.0005477300000000, 0.0034753100000000, -0.0009392900000000 ] - [ 0.0004418900000000, 0.0035565000000000, -0.0010416000000000 ] - [ 0.0020180700000000, 0.0043507500000000, -0.0016213200000000 ] - [ -0.0020763400000000, 0.0036581200000000, 0.0005127800000000 ] - [ 0.0234122000000000, 0.0060447000000000, -0.0233543300000000 ] - [ -0.0003697000000000, 0.0036181800000000, 0.0011002300000000 ] - [ -0.0004017700000000, 0.0036127500000000, 0.0011418800000000 ] - [ -0.0003095900000000, 0.0036247800000000, 0.0011174600000000 ] - [ -0.0001996700000000, 0.0035454800000000, 0.0019096500000000 ] - [ 0.0000805900000000, 0.0034712600000000, 0.0017652300000000 ] - [ -0.0011853200000000, 0.0035994100000000, 0.0018178900000000 ] - [ -0.0003338800000000, 0.0036066300000000, 0.0012157900000000 ] - [ -0.0003364800000000, 0.0036143200000000, 0.0012042200000000 ] - [ -0.0003964300000000, 0.0035814500000000, 0.0012018200000000 ] - [ -0.0010031800000000, 0.0037172000000000, 0.0009211800000000 ] - [ 0.0007835500000000, 0.0036554100000000, 0.0011038100000000 ] - [ -0.0024964600000000, 0.0033285300000000, 0.0043731900000000 ] - [ -0.0003855300000000, 0.0036257600000000, 0.0011544800000000 ] - [ -0.0002982300000000, 0.0036192600000000, 0.0011720400000000 ] - [ -0.0003855500000000, 0.0035941800000000, 0.0011852800000000 ] - [ 0.0011499100000000, -0.0042675000000000, 0.0020517600000000 ] - [ -0.0011340600000000, -0.0034594300000000, 0.0010891400000000 ] - [ -0.0022313600000000, -0.0050999800000000, 0.0029560800000000 ] - [ -0.0003063600000000, -0.0035961200000000, 0.0011321000000000 ] - [ -0.0004124900000000, -0.0036666500000000, 0.0011274700000000 ] - [ -0.0003479600000000, -0.0035833700000000, 0.0011615500000000 ] - [ -0.0002806200000000, -0.0035275100000000, 0.0015915100000000 ] - [ 0.0002459000000000, -0.0033175400000000, 0.0019146700000000 ] - [ -0.0014276700000000, -0.0030546300000000, 0.0024234600000000 ] - [ -0.0003423500000000, -0.0036550500000000, 0.0011952900000000 ] - [ -0.0003417900000000, -0.0036722700000000, 0.0012315500000000 ] - [ -0.0003797700000000, -0.0036698800000000, 0.0011903200000000 ] - [ -0.0012322000000000, -0.0034241300000000, 0.0006341100000000 ] - [ -0.0013478200000000, -0.0044735400000000, -0.0006239200000000 ] - [ 0.0024503600000000, -0.0085851600000000, -0.0011878000000000 ] - [ -0.0004253700000000, -0.0037004800000000, 0.0011374900000000 ] - [ -0.0003477000000000, -0.0036154000000000, 0.0011088400000000 ] - [ -0.0002968600000000, -0.0038291300000000, 0.0010599000000000 ] - [ 0.0004259000000000, -0.0036735300000000, -0.0012757900000000 ] - [ 0.0003319400000000, -0.0035730200000000, -0.0012415800000000 ] - [ 0.0002831900000000, -0.0036966300000000, -0.0011903200000000 ] - [ 0.0019675800000000, -0.0038618500000000, -0.0028388300000000 ] - [ 0.0000391000000000, -0.0035411500000000, -0.0017722000000000 ] - [ -0.0002553800000000, -0.0034305500000000, -0.0012662100000000 ] - [ 0.0003123400000000, -0.0037004000000000, -0.0010419100000000 ] - [ 0.0003986700000000, -0.0036897900000000, -0.0010694400000000 ] - [ 0.0003783100000000, -0.0037217200000000, -0.0010502100000000 ] - [ 0.0000261800000000, -0.0038270500000000, -0.0006745200000000 ] - [ 0.0005237000000000, -0.0037704300000000, -0.0005904700000000 ] - [ 0.0005851400000000, -0.0038159400000000, -0.0007336800000000 ] - [ 0.0003146000000000, -0.0036415900000000, -0.0011345200000000 ] - [ 0.0002733300000000, -0.0037417800000000, -0.0012212800000000 ] - [ 0.0004471700000000, -0.0035452600000000, -0.0011456300000000 ] - [ 0.0008400400000000, -0.0031780900000000, -0.0018606800000000 ] - [ -0.0003269500000000, -0.0032927700000000, -0.0016905900000000 ] - [ 0.0016932500000000, -0.0041644800000000, -0.0004354300000000 ]- atom: 73 displacement: [ 0.0099981352554036, 0.0000000000000000, -0.0001931098512674 ] forces: - [ 0.0003928400000000, -0.0004068600000000, 0.0002992500000000 ] - [ -0.0003030000000000, -0.0007161000000000, 0.0002485000000000 ] - [ -0.0002997900000000, -0.0000890900000000, 0.0003857800000000 ] - [ 0.0000742700000000, -0.0004166100000000, 0.0003182200000000 ] - [ -0.0002140500000000, -0.0000791500000000, 0.0002360800000000 ] - [ -0.0002134400000000, -0.0007259800000000, 0.0003928500000000 ] - [ -0.0000451600000000, 0.0000584300000000, 0.0005061000000000 ] - [ -0.0000986900000000, -0.0004015400000000, 0.0003139000000000 ] - [ -0.0000530800000000, -0.0008626200000000, 0.0001183200000000 ] - [ -0.0000467200000000, -0.0008017700000000, 0.0005484000000000 ] - [ 0.0000500700000000, -0.0004023800000000, 0.0003109100000000 ] - [ -0.0000554700000000, -0.0000048400000000, 0.0000769500000000 ] - [ -0.0002517600000000, -0.0005425100000000, 0.0004001700000000 ] - [ -0.0002522900000000, -0.0002621300000000, 0.0002343700000000 ] - [ 0.0002984300000000, -0.0004034000000000, 0.0003071500000000 ] - [ -0.0001714600000000, -0.0001441000000000, 0.0001992900000000 ] - [ -0.0001689700000000, -0.0006605800000000, 0.0004286300000000 ] - [ 0.0001948500000000, -0.0004023300000000, 0.0003055900000000 ] - [ 0.0012819400000000, 0.0028731800000000, 0.0008592700000000 ] - [ 0.0012569300000000, -0.0020532000000000, -0.0002834200000000 ] - [ -0.0010686400000000, 0.0004017500000000, 0.0003299900000000 ] - [ -0.0000354300000000, 0.0002515300000000, 0.0004030800000000 ] - [ -0.0000398100000000, 0.0005509700000000, 0.0002220400000000 ] - [ -0.0001951200000000, 0.0004021400000000, 0.0003144400000000 ] - [ -0.0005737200000000, 0.0004028700000000, 0.0003235000000000 ] - [ 0.0002035400000000, 0.0005051100000000, 0.0002648100000000 ] - [ 0.0002035400000000, 0.0003011500000000, 0.0003542900000000 ] - [ -0.0001419200000000, 0.0004023400000000, 0.0003138200000000 ] - [ -0.0000282700000000, 0.0003405700000000, 0.0003260000000000 ] - [ -0.0000295300000000, 0.0004641100000000, 0.0002979100000000 ] - [ 0.0008968600000000, -0.0000294300000000, -0.0010374400000000 ] - [ -0.0009761600000000, 0.0004009800000000, 0.0003303800000000 ] - [ 0.0009500800000000, 0.0008391000000000, 0.0016173700000000 ] - [ -0.0000385000000000, 0.0005110300000000, 0.0002474000000000 ] - [ -0.0001807200000000, 0.0004018900000000, 0.0003147700000000 ] - [ -0.0000363200000000, 0.0002919200000000, 0.0003763400000000 ] - [ 0.0022787700000000, 0.0004010600000000, -0.0003523200000000 ] - [ -0.0019282900000000, 0.0001422700000000, -0.0010344000000000 ] - [ -0.0019016400000000, 0.0006587400000000, 0.0004875100000000 ] - [ 0.0001462700000000, 0.0004026100000000, -0.0003145300000000 ] - [ 0.0000366700000000, 0.0003549700000000, -0.0002689300000000 ] - [ 0.0000351800000000, 0.0004490800000000, -0.0003550100000000 ] - [ -0.0006967200000000, 0.0003311800000000, -0.0010803300000000 ] - [ 0.0009337700000000, 0.0004005600000000, -0.0003289200000000 ] - [ -0.0006682000000000, 0.0004735900000000, 0.0004863900000000 ] - [ 0.0000627100000000, 0.0003925600000000, -0.0003375900000000 ] - [ 0.0000905300000000, 0.0004018900000000, -0.0003124800000000 ] - [ 0.0000634500000000, 0.0004114800000000, -0.0002868300000000 ] - [ -0.0012780900000000, 0.0012319200000000, -0.0003473900000000 ] - [ -0.0012814200000000, -0.0004173300000000, -0.0002191400000000 ] - [ 0.0043166500000000, 0.0004650100000000, -0.0003858600000000 ] - [ 0.0000277500000000, 0.0003221900000000, -0.0002590200000000 ] - [ 0.0000263200000000, 0.0004820500000000, -0.0003653800000000 ] - [ 0.0001621400000000, 0.0004010800000000, -0.0003138000000000 ] - [ 0.0210724700000000, 0.0035059100000000, 0.0149376700000000 ] - [ -0.0024559700000000, -0.0004041400000000, -0.0002802700000000 ] - [ 0.0197375500000000, -0.0041536700000000, -0.0155484300000000 ] - [ 0.0000987300000000, -0.0004052800000000, -0.0002727700000000 ] - [ 0.0000058600000000, -0.0004035000000000, -0.0003119800000000 ] - [ 0.0000974200000000, -0.0004005300000000, -0.0003541000000000 ] - [ 0.0004955600000000, -0.0003448000000000, -0.0001266800000000 ] - [ 0.0004891000000000, -0.0004593500000000, -0.0005147000000000 ] - [ -0.0011711000000000, -0.0004012100000000, -0.0002876600000000 ] - [ 0.0001018300000000, -0.0004155200000000, -0.0003148100000000 ] - [ 0.0001017800000000, -0.0003899800000000, -0.0003119400000000 ] - [ 0.0000109700000000, -0.0004032600000000, -0.0003120800000000 ] - [ -0.0008741200000000, -0.0004011500000000, -0.0002897300000000 ] - [ -0.0007537600000000, -0.0008065000000000, -0.0025559500000000 ] - [ -0.0006493800000000, 0.0000184300000000, 0.0019560000000000 ] - [ 0.0000291600000000, -0.0004029800000000, -0.0003119100000000 ] - [ 0.0000918600000000, -0.0003744300000000, -0.0003730600000000 ] - [ 0.0000940000000000, -0.0004322800000000, -0.0002530200000000 ] - [ -0.0694644300000000, 0.0034592000000000, -0.0006230300000000 ] - [ 0.0052577700000000, 0.0037087000000000, -0.0001872400000000 ] - [ 0.0051257800000000, 0.0035647900000000, -0.0023109200000000 ] - [ 0.0002292600000000, 0.0036397100000000, -0.0011568400000000 ] - [ 0.0004003200000000, 0.0036500800000000, -0.0011653300000000 ] - [ 0.0004003700000000, 0.0036276600000000, -0.0011549800000000 ] - [ 0.0014334600000000, 0.0036856100000000, -0.0023372700000000 ] - [ -0.0002124400000000, 0.0036380200000000, -0.0011478000000000 ] - [ 0.0014735500000000, 0.0035941300000000, -0.0000282100000000 ] - [ 0.0004014700000000, 0.0036674700000000, -0.0011803000000000 ] - [ 0.0002798500000000, 0.0036385200000000, -0.0011577300000000 ] - [ 0.0004024400000000, 0.0036108900000000, -0.0011396900000000 ] - [ 0.0014413800000000, 0.0034444700000000, -0.0018485000000000 ] - [ 0.0014657600000000, 0.0038306500000000, -0.0005143700000000 ] - [ -0.0002124400000000, 0.0036388100000000, -0.0011428900000000 ] - [ 0.0004014900000000, 0.0036034200000000, -0.0011960700000000 ] - [ 0.0004026300000000, 0.0036749800000000, -0.0011246200000000 ] - [ 0.0002796300000000, 0.0036393000000000, -0.0011582400000000 ] - [ -0.0004408300000000, 0.0041851000000000, 0.0012639600000000 ] - [ 0.0000136000000000, 0.0036391600000000, 0.0011531300000000 ] - [ -0.0004463800000000, 0.0030940600000000, 0.0010603300000000 ] - [ -0.0004433400000000, 0.0034362300000000, 0.0012661500000000 ] - [ 0.0000134900000000, 0.0036386300000000, 0.0011529600000000 ] - [ -0.0004438300000000, 0.0038474100000000, 0.0010538700000000 ] - [ -0.0005808000000000, 0.0037232500000000, 0.0011950700000000 ] - [ -0.0005815000000000, 0.0035536400000000, 0.0011317200000000 ] - [ 0.0001232700000000, 0.0036383800000000, 0.0011500300000000 ] - [ -0.0005821900000000, 0.0037500200000000, 0.0011198600000000 ] - [ -0.0005801200000000, 0.0035268400000000, 0.0012084100000000 ] - [ 0.0001232000000000, 0.0036384700000000, 0.0011508200000000 ] - [ -0.0000840300000000, 0.0036386900000000, 0.0011547200000000 ] - [ -0.0004437900000000, 0.0028720600000000, 0.0012344400000000 ] - [ -0.0004435700000000, 0.0044132600000000, 0.0010856300000000 ] - [ -0.0000838900000000, 0.0036389100000000, 0.0011546900000000 ] - [ -0.0004402900000000, 0.0036937700000000, 0.0012198100000000 ] - [ -0.0004473000000000, 0.0035853000000000, 0.0011073200000000 ] - [ -0.0017173600000000, -0.0036403900000000, 0.0011849900000000 ] - [ 0.0004707500000000, -0.0028156100000000, 0.0018258800000000 ] - [ 0.0004436800000000, -0.0044638500000000, 0.0004625400000000 ] - [ -0.0005130500000000, -0.0036385000000000, 0.0011621300000000 ] - [ -0.0003043200000000, -0.0037737400000000, 0.0011651300000000 ] - [ -0.0003027300000000, -0.0035035400000000, 0.0011504700000000 ] - [ 0.0000606200000000, -0.0037187300000000, 0.0015585900000000 ] - [ -0.0010490100000000, -0.0036383700000000, 0.0011697700000000 ] - [ 0.0000457000000000, -0.0035600300000000, 0.0007415000000000 ] - [ -0.0002631600000000, -0.0034914700000000, 0.0012128000000000 ] - [ -0.0005204600000000, -0.0036386200000000, 0.0011626200000000 ] - [ -0.0002664000000000, -0.0037852300000000, 0.0011038300000000 ] - [ 0.0004528900000000, -0.0032543700000000, 0.0011487600000000 ] - [ 0.0004520600000000, -0.0040239900000000, 0.0011439400000000 ] - [ -0.0010054500000000, -0.0036308800000000, 0.0011734300000000 ] - [ -0.0002380900000000, -0.0037091000000000, 0.0011721100000000 ] - [ -0.0002389000000000, -0.0035671800000000, 0.0011431100000000 ] - [ -0.0004874900000000, -0.0036382500000000, 0.0011617500000000 ] - [ 0.0039207100000000, -0.0009463900000000, -0.0062840600000000 ] - [ 0.0041188900000000, -0.0063658900000000, 0.0038533200000000 ] - [ 0.0014155700000000, -0.0036398000000000, -0.0011777200000000 ] - [ 0.0003220800000000, -0.0036953100000000, -0.0011611800000000 ] - [ 0.0003232200000000, -0.0035823000000000, -0.0011559800000000 ] - [ 0.0004495200000000, -0.0036385200000000, -0.0011615100000000 ] - [ 0.0015336700000000, -0.0036385400000000, -0.0011839200000000 ] - [ 0.0001564900000000, -0.0035952200000000, -0.0011715200000000 ] - [ 0.0001562300000000, -0.0036815600000000, -0.0011408100000000 ] - [ 0.0004350600000000, -0.0036383500000000, -0.0011617500000000 ] - [ 0.0003148400000000, -0.0036525100000000, -0.0011659800000000 ] - [ 0.0003150700000000, -0.0036240500000000, -0.0011525800000000 ] - [ 0.0039319500000000, -0.0072208800000000, -0.0056720400000000 ] - [ 0.0014154600000000, -0.0036408600000000, -0.0011827800000000 ] - [ 0.0041063200000000, -0.0000884300000000, 0.0031754900000000 ] - [ 0.0003228700000000, -0.0035420100000000, -0.0011846400000000 ] - [ 0.0004494900000000, -0.0036383300000000, -0.0011615300000000 ] - [ 0.0003225600000000, -0.0037339400000000, -0.0011345700000000 ]- atom: 73 displacement: [ -0.0099981352554036, 0.0000000000000000, 0.0001931098512674 ] forces: - [ -0.0005351200000000, -0.0004023600000000, 0.0003150500000000 ] - [ 0.0001600100000000, -0.0000839100000000, 0.0003746300000000 ] - [ 0.0001581000000000, -0.0007103000000000, 0.0002374300000000 ] - [ -0.0002159500000000, -0.0004131400000000, 0.0003221300000000 ] - [ 0.0000746000000000, -0.0007209700000000, 0.0003859100000000 ] - [ 0.0000684600000000, -0.0000740300000000, 0.0002287900000000 ] - [ -0.0000970900000000, -0.0008578800000000, 0.0001173600000000 ] - [ -0.0000430900000000, -0.0003956400000000, 0.0003108200000000 ] - [ -0.0000895600000000, 0.0000631600000000, 0.0005051400000000 ] - [ -0.0000962400000000, 0.0000002600000000, 0.0000768600000000 ] - [ -0.0001921100000000, -0.0003979800000000, 0.0003137500000000 ] - [ -0.0000859400000000, -0.0007972000000000, 0.0005480700000000 ] - [ 0.0001067800000000, -0.0002576800000000, 0.0002257000000000 ] - [ 0.0001126200000000, -0.0005378800000000, 0.0003910700000000 ] - [ -0.0004402700000000, -0.0003985300000000, 0.0003199300000000 ] - [ 0.0000319200000000, -0.0006548700000000, 0.0004222000000000 ] - [ 0.0000243900000000, -0.0001373600000000, 0.0001928600000000 ] - [ -0.0003370500000000, -0.0003987000000000, 0.0003138200000000 ] - [ -0.0014221100000000, -0.0020576100000000, -0.0002322600000000 ] - [ -0.0014011100000000, 0.0028680100000000, 0.0009104900000000 ] - [ 0.0009262900000000, 0.0003964800000000, 0.0002905700000000 ] - [ -0.0001056100000000, 0.0005451900000000, 0.0002215300000000 ] - [ -0.0001031700000000, 0.0002449200000000, 0.0004021200000000 ] - [ 0.0000523900000000, 0.0003974900000000, 0.0003079600000000 ] - [ 0.0004313600000000, 0.0003979200000000, 0.0003029800000000 ] - [ -0.0003446000000000, 0.0002965500000000, 0.0003631200000000 ] - [ -0.0003467100000000, 0.0004990800000000, 0.0002732400000000 ] - [ -0.0000003200000000, 0.0003983000000000, 0.0003098600000000 ] - [ -0.0001134600000000, 0.0004587000000000, 0.0002974200000000 ] - [ -0.0001132500000000, 0.0003351800000000, 0.0003257800000000 ] - [ -0.0010405100000000, 0.0008351200000000, 0.0016505500000000 ] - [ 0.0008337900000000, 0.0003952200000000, 0.0002931600000000 ] - [ -0.0010914700000000, -0.0000329500000000, -0.0010045200000000 ] - [ -0.0001035900000000, 0.0002876500000000, 0.0003763500000000 ] - [ 0.0000387500000000, 0.0003970000000000, 0.0003084400000000 ] - [ -0.0001065900000000, 0.0005054700000000, 0.0002465800000000 ] - [ -0.0021362800000000, 0.0003968300000000, -0.0002649200000000 ] - [ 0.0020741500000000, 0.0006537900000000, 0.0004131000000000 ] - [ 0.0020405700000000, 0.0001374000000000, -0.0011083300000000 ] - [ -0.0000036100000000, 0.0003967700000000, -0.0003094900000000 ] - [ 0.0001052000000000, 0.0004445200000000, -0.0003547300000000 ] - [ 0.0001071700000000, 0.0003503000000000, -0.0002686500000000 ] - [ 0.0008412100000000, 0.0004681000000000, 0.0004602200000000 ] - [ -0.0007914300000000, 0.0003957400000000, -0.0002950100000000 ] - [ 0.0008081500000000, 0.0003262400000000, -0.0011065700000000 ] - [ 0.0000795900000000, 0.0004073200000000, -0.0002855200000000 ] - [ 0.0000517400000000, 0.0003973800000000, -0.0003102900000000 ] - [ 0.0000785800000000, 0.0003870300000000, -0.0003358300000000 ] - [ 0.0014263900000000, -0.0004225100000000, -0.0002690600000000 ] - [ 0.0014177400000000, 0.0012274500000000, -0.0003972700000000 ] - [ -0.0041742900000000, 0.0004684700000000, -0.0002177800000000 ] - [ 0.0001138300000000, 0.0004764400000000, -0.0003649400000000 ] - [ 0.0001162900000000, 0.0003165300000000, -0.0002583200000000 ] - [ -0.0000198000000000, 0.0003955400000000, -0.0003085000000000 ] - [ -0.0201681000000000, -0.0041478700000000, -0.0147707700000000 ] - [ 0.0025976000000000, -0.0003990900000000, -0.0003751900000000 ] - [ -0.0203262000000000, 0.0035096500000000, 0.0157430000000000 ] - [ 0.0000434700000000, -0.0003957700000000, -0.0003509800000000 ] - [ 0.0001363900000000, -0.0003984600000000, -0.0003124400000000 ] - [ 0.0000450700000000, -0.0003998800000000, -0.0002700500000000 ] - [ -0.0003538400000000, -0.0004541400000000, -0.0004971000000000 ] - [ -0.0003465000000000, -0.0003386600000000, -0.0001090000000000 ] - [ 0.0013138000000000, -0.0003958000000000, -0.0003328300000000 ] - [ 0.0000407100000000, -0.0003844800000000, -0.0003084400000000 ] - [ 0.0000404600000000, -0.0004108700000000, -0.0003121400000000 ] - [ 0.0001310000000000, -0.0003985200000000, -0.0003122700000000 ] - [ 0.0010168900000000, -0.0003961700000000, -0.0003243700000000 ] - [ 0.0008760300000000, 0.0000265800000000, 0.0019247200000000 ] - [ 0.0008116700000000, -0.0007979300000000, -0.0025872800000000 ] - [ 0.0001134200000000, -0.0003976600000000, -0.0003114800000000 ] - [ 0.0000503600000000, -0.0004271700000000, -0.0002504300000000 ] - [ 0.0000481900000000, -0.0003698100000000, -0.0003705200000000 ] - [ 0.0701424100000000, 0.0034289900000000, -0.0033021700000000 ] - [ -0.0044531100000000, 0.0035614000000000, -0.0021236000000000 ] - [ -0.0045032800000000, 0.0037052500000000, 0.0000034900000000 ] - [ 0.0004848200000000, 0.0036363600000000, -0.0011597000000000 ] - [ 0.0003135000000000, 0.0036242300000000, -0.0011513400000000 ] - [ 0.0003128700000000, 0.0036460100000000, -0.0011617900000000 ] - [ -0.0007150600000000, 0.0035901600000000, 0.0000136800000000 ] - [ 0.0009269000000000, 0.0036340400000000, -0.0011673700000000 ] - [ -0.0007657400000000, 0.0036820600000000, -0.0022950400000000 ] - [ 0.0003117800000000, 0.0036078400000000, -0.0011362200000000 ] - [ 0.0004340100000000, 0.0036348500000000, -0.0011588900000000 ] - [ 0.0003114300000000, 0.0036636800000000, -0.0011766000000000 ] - [ -0.0007261300000000, 0.0038277100000000, -0.0004708400000000 ] - [ -0.0007543100000000, 0.0034405100000000, -0.0018049000000000 ] - [ 0.0009267700000000, 0.0036351700000000, -0.0011607700000000 ] - [ 0.0003127700000000, 0.0036724800000000, -0.0011215900000000 ] - [ 0.0003110400000000, 0.0035988200000000, -0.0011920500000000 ] - [ 0.0004334000000000, 0.0036359600000000, -0.0011590600000000 ] - [ -0.0002727100000000, 0.0030889700000000, 0.0010551600000000 ] - [ -0.0007285300000000, 0.0036355800000000, 0.0011653200000000 ] - [ -0.0002700100000000, 0.0041819500000000, 0.0012587500000000 ] - [ -0.0002756600000000, 0.0038445300000000, 0.0010482200000000 ] - [ -0.0007286700000000, 0.0036352400000000, 0.0011651800000000 ] - [ -0.0002670200000000, 0.0034329100000000, 0.0012606600000000 ] - [ -0.0001341000000000, 0.0035501200000000, 0.0011209800000000 ] - [ -0.0001333400000000, 0.0037192800000000, 0.0011843400000000 ] - [ -0.0008383000000000, 0.0036350600000000, 0.0011662000000000 ] - [ -0.0001326500000000, 0.0035234100000000, 0.0011983500000000 ] - [ -0.0001348900000000, 0.0037465400000000, 0.0011094800000000 ] - [ -0.0008381200000000, 0.0036349000000000, 0.0011680100000000 ] - [ -0.0006311400000000, 0.0036353400000000, 0.0011633100000000 ] - [ -0.0002739800000000, 0.0044108700000000, 0.0010802100000000 ] - [ -0.0002682100000000, 0.0028695400000000, 0.0012290100000000 ] - [ -0.0006308000000000, 0.0036354100000000, 0.0011630400000000 ] - [ -0.0002700000000000, 0.0035825600000000, 0.0011021600000000 ] - [ -0.0002724700000000, 0.0036906600000000, 0.0012151500000000 ] - [ 0.0010041600000000, -0.0036371000000000, 0.0011304600000000 ] - [ -0.0011835500000000, -0.0044591700000000, 0.0004922800000000 ] - [ -0.0011585200000000, -0.0028105200000000, 0.0018558000000000 ] - [ -0.0002009400000000, -0.0036351700000000, 0.0011539100000000 ] - [ -0.0004118100000000, -0.0034996200000000, 0.0011502900000000 ] - [ -0.0004080100000000, -0.0037710600000000, 0.0011649100000000 ] - [ -0.0007762600000000, -0.0035556000000000, 0.0007535800000000 ] - [ 0.0003353900000000, -0.0036348600000000, 0.0011412500000000 ] - [ -0.0007574200000000, -0.0037146400000000, 0.0015710100000000 ] - [ -0.0004486500000000, -0.0037812500000000, 0.0011055400000000 ] - [ -0.0001932500000000, -0.0036348200000000, 0.0011543300000000 ] - [ -0.0004488100000000, -0.0034885200000000, 0.0012147600000000 ] - [ -0.0011660600000000, -0.0040204800000000, 0.0011728900000000 ] - [ -0.0011660100000000, -0.0032511600000000, 0.0011776100000000 ] - [ 0.0002921000000000, -0.0036268000000000, 0.0011466900000000 ] - [ -0.0004756100000000, -0.0035635700000000, 0.0011457600000000 ] - [ -0.0004742300000000, -0.0037055700000000, 0.0011747700000000 ] - [ -0.0002263200000000, -0.0036342800000000, 0.0011554300000000 ] - [ -0.0032069200000000, -0.0063602600000000, 0.0039922500000000 ] - [ -0.0034016300000000, -0.0009399700000000, -0.0061448100000000 ] - [ -0.0007005800000000, -0.0036360700000000, -0.0011351500000000 ] - [ 0.0003919800000000, -0.0035790200000000, -0.0011554900000000 ] - [ 0.0003928000000000, -0.0036913300000000, -0.0011606700000000 ] - [ 0.0002654400000000, -0.0036346100000000, -0.0011567300000000 ] - [ -0.0008181700000000, -0.0036345800000000, -0.0011384400000000 ] - [ 0.0005592700000000, -0.0036781300000000, -0.0011462400000000 ] - [ 0.0005576000000000, -0.0035911300000000, -0.0011777600000000 ] - [ 0.0002805400000000, -0.0036345700000000, -0.0011569500000000 ] - [ 0.0003998700000000, -0.0036208800000000, -0.0011523300000000 ] - [ 0.0003997100000000, -0.0036479300000000, -0.0011662200000000 ] - [ -0.0032207000000000, -0.0000859300000000, 0.0033169200000000 ] - [ -0.0007005000000000, -0.0036373200000000, -0.0011398000000000 ] - [ -0.0033888000000000, -0.0072187500000000, -0.0055307300000000 ] - [ 0.0003935200000000, -0.0037304400000000, -0.0011336700000000 ] - [ 0.0002656500000000, -0.0036348200000000, -0.0011556000000000 ] - [ 0.0003910400000000, -0.0035384000000000, -0.0011840400000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000786800000000, -0.0009452800000000, -0.0001245900000000 ] - [ -0.0003859100000000, -0.0005428500000000, 0.0006281500000000 ] - [ 0.0002555900000000, -0.0005429600000000, 0.0006156900000000 ] - [ -0.0000293000000000, -0.0038172500000000, 0.0024985700000000 ] - [ 0.0002376900000000, -0.0005221900000000, 0.0001068400000000 ] - [ -0.0003875000000000, -0.0005223400000000, 0.0001189900000000 ] - [ -0.0001138100000000, -0.0009397400000000, 0.0002449800000000 ] - [ -0.0000751800000000, -0.0010062200000000, 0.0001004500000000 ] - [ -0.0000313700000000, -0.0009393200000000, 0.0002432400000000 ] - [ -0.0000334000000000, -0.0005752200000000, 0.0005026500000000 ] - [ -0.0000688300000000, -0.0004898700000000, 0.0004232100000000 ] - [ -0.0001013200000000, -0.0005751500000000, 0.0005046500000000 ] - [ -0.0001802300000000, -0.0005218000000000, 0.0003884300000000 ] - [ 0.0000409600000000, -0.0005218600000000, 0.0003842600000000 ] - [ -0.0000665200000000, -0.0004085900000000, 0.0005688100000000 ] - [ 0.0002594900000000, -0.0003955900000000, 0.0000840400000000 ] - [ -0.0004109200000000, -0.0003957300000000, 0.0000969400000000 ] - [ -0.0000814800000000, -0.0006135700000000, -0.0002535200000000 ] - [ -0.0007991600000000, -0.0004533700000000, 0.0002824600000000 ] - [ 0.0006541700000000, -0.0004520500000000, 0.0002522400000000 ] - [ -0.0000617700000000, 0.0005254000000000, 0.0007860300000000 ] - [ 0.0000018900000000, -0.0001996000000000, 0.0003745600000000 ] - [ -0.0001418000000000, -0.0001997100000000, 0.0003774900000000 ] - [ -0.0000737100000000, 0.0001851000000000, 0.0001748200000000 ] - [ -0.0000756600000000, 0.0005489600000000, 0.0000631500000000 ] - [ -0.0000427800000000, 0.0005768100000000, 0.0001073000000000 ] - [ -0.0001081200000000, 0.0005768300000000, 0.0001083600000000 ] - [ -0.0000729200000000, 0.0002629900000000, 0.0002307700000000 ] - [ -0.0000491200000000, 0.0002084500000000, 0.0002229600000000 ] - [ -0.0000963700000000, 0.0002085500000000, 0.0002238800000000 ] - [ 0.0001741900000000, 0.0005952400000000, 0.0002199300000000 ] - [ -0.0000655400000000, 0.0005894900000000, 0.0005948900000000 ] - [ -0.0003213400000000, 0.0005954300000000, 0.0002278100000000 ] - [ 0.0000026500000000, -0.0000551100000000, 0.0003348400000000 ] - [ -0.0000726600000000, 0.0002103100000000, 0.0002356900000000 ] - [ -0.0001436900000000, -0.0000558400000000, 0.0003382700000000 ] - [ 0.0000872800000000, 0.0007967200000000, 0.0005428200000000 ] - [ 0.0012994900000000, 0.0011540300000000, 0.0005270000000000 ] - [ -0.0011232700000000, 0.0011538600000000, 0.0005732600000000 ] - [ 0.0000698900000000, 0.0000170900000000, -0.0003735100000000 ] - [ 0.0000077700000000, 0.0000834600000000, -0.0003323700000000 ] - [ 0.0001332900000000, 0.0000834200000000, -0.0003346300000000 ] - [ -0.0002824700000000, 0.0008013000000000, -0.0007730300000000 ] - [ 0.0000625700000000, 0.0006743900000000, -0.0007450600000000 ] - [ 0.0004060300000000, 0.0008007700000000, -0.0007853600000000 ] - [ 0.0000823100000000, 0.0001348400000000, -0.0002824100000000 ] - [ 0.0000718400000000, 0.0001434500000000, -0.0002691500000000 ] - [ 0.0000609300000000, 0.0001347300000000, -0.0002819700000000 ] - [ 0.0008546200000000, 0.0008820400000000, 0.0000916500000000 ] - [ -0.0006968200000000, 0.0008819900000000, 0.0001218400000000 ] - [ 0.0001891400000000, 0.0522093800000000, 0.0062099000000000 ] - [ 0.0000078600000000, 0.0001126300000000, -0.0002878100000000 ] - [ 0.0001351200000000, 0.0001127600000000, -0.0002903300000000 ] - [ 0.0000757500000000, -0.0002608900000000, -0.0000533100000000 ] - [ 0.0014450300000000, 0.0037675900000000, 0.0018340600000000 ] - [ 0.0000716600000000, 0.0000404600000000, -0.0002862500000000 ] - [ -0.0012195800000000, 0.0037702300000000, 0.0018863600000000 ] - [ 0.0000748500000000, -0.0008414600000000, -0.0003372900000000 ] - [ 0.0000704000000000, -0.0006787500000000, -0.0003498000000000 ] - [ 0.0000664800000000, -0.0008411900000000, -0.0003371800000000 ] - [ 0.0000127800000000, 0.0000124200000000, -0.0004890400000000 ] - [ 0.0001223500000000, 0.0000121100000000, -0.0004909700000000 ] - [ 0.0000701100000000, -0.0000677100000000, -0.0003668700000000 ] - [ 0.0000759900000000, -0.0006643200000000, -0.0003523800000000 ] - [ 0.0000647500000000, -0.0006644500000000, -0.0003523600000000 ] - [ 0.0000696300000000, -0.0007357600000000, -0.0003917900000000 ] - [ 0.0000730500000000, 0.0000090100000000, -0.0002085100000000 ] - [ -0.0001701900000000, 0.0010003400000000, -0.0005081100000000 ] - [ 0.0003028800000000, 0.0009985500000000, -0.0005146100000000 ] - [ 0.0000708500000000, -0.0006832500000000, -0.0003323700000000 ] - [ 0.0000517200000000, -0.0008112400000000, -0.0003565700000000 ] - [ 0.0000886700000000, -0.0008107500000000, -0.0003570000000000 ] - [ 0.0000940100000000, -0.0729374300000000, -0.0156349000000000 ] - [ 0.0002779800000000, 0.0029292200000000, -0.0012956700000000 ] - [ 0.0004301600000000, 0.0029292500000000, -0.0012985900000000 ] - [ 0.0003559100000000, 0.0039318100000000, -0.0011862800000000 ] - [ 0.0003464600000000, 0.0039557000000000, -0.0011343400000000 ] - [ 0.0003678600000000, 0.0039555500000000, -0.0011347300000000 ] - [ 0.0001700200000000, 0.0030801600000000, -0.0009225800000000 ] - [ 0.0003554700000000, 0.0032652600000000, -0.0012275400000000 ] - [ 0.0005525900000000, 0.0030794200000000, -0.0009299900000000 ] - [ 0.0003219900000000, 0.0039012700000000, -0.0010598600000000 ] - [ 0.0003574700000000, 0.0039321900000000, -0.0011186400000000 ] - [ 0.0003951100000000, 0.0039011400000000, -0.0010611700000000 ] - [ 0.0003992600000000, 0.0030806200000000, -0.0012554000000000 ] - [ 0.0003106200000000, 0.0030798400000000, -0.0012538700000000 ] - [ 0.0003599600000000, 0.0032662600000000, -0.0010044900000000 ] - [ 0.0003855100000000, 0.0039009800000000, -0.0011532100000000 ] - [ 0.0003280100000000, 0.0039007500000000, -0.0011521000000000 ] - [ 0.0003581700000000, 0.0039318500000000, -0.0010820800000000 ] - [ -0.0001452800000000, 0.0044792500000000, 0.0012916000000000 ] - [ -0.0003604300000000, 0.0037409400000000, 0.0010173400000000 ] - [ -0.0005638500000000, 0.0044796500000000, 0.0012991300000000 ] - [ -0.0009114200000000, 0.0044733100000000, 0.0005900200000000 ] - [ -0.0003557300000000, 0.0037428000000000, 0.0012548000000000 ] - [ 0.0001737000000000, 0.0044734500000000, 0.0005696000000000 ] - [ -0.0004657500000000, 0.0037592000000000, 0.0013074400000000 ] - [ -0.0002434100000000, 0.0037591700000000, 0.0013030800000000 ] - [ -0.0003523200000000, 0.0038667800000000, 0.0014336800000000 ] - [ -0.0004424200000000, 0.0037611800000000, 0.0011324800000000 ] - [ -0.0002736600000000, 0.0037610900000000, 0.0011290300000000 ] - [ -0.0003597400000000, 0.0038688200000000, 0.0010368200000000 ] - [ -0.0003612400000000, 0.0037222900000000, 0.0009673000000000 ] - [ -0.0004166200000000, 0.0041049700000000, 0.0009154300000000 ] - [ -0.0003073500000000, 0.0041029400000000, 0.0009138100000000 ] - [ -0.0003575400000000, 0.0037241400000000, 0.0011498300000000 ] - [ 0.0004247100000000, 0.0041023800000000, 0.0019136000000000 ] - [ -0.0011089900000000, 0.0041003200000000, 0.0019419300000000 ] - [ -0.0003349300000000, -0.0027145700000000, 0.0022809700000000 ] - [ 0.0004823000000000, -0.0028779400000000, 0.0019485700000000 ] - [ -0.0011657500000000, -0.0028769000000000, 0.0019812800000000 ] - [ -0.0003574700000000, -0.0034111700000000, 0.0011336100000000 ] - [ -0.0004929800000000, -0.0032187200000000, 0.0010786500000000 ] - [ -0.0002240400000000, -0.0032193400000000, 0.0010734900000000 ] - [ -0.0004380300000000, -0.0036852400000000, 0.0010649000000000 ] - [ -0.0003580800000000, -0.0038251800000000, 0.0010860000000000 ] - [ -0.0002798600000000, -0.0036855300000000, 0.0010626500000000 ] - [ -0.0002064200000000, -0.0032805300000000, 0.0013762700000000 ] - [ -0.0003546800000000, -0.0034089600000000, 0.0012802700000000 ] - [ -0.0004984700000000, -0.0032812000000000, 0.0013812500000000 ] - [ 0.0000184300000000, -0.0037475100000000, 0.0007625000000000 ] - [ -0.0007468300000000, -0.0037483300000000, 0.0007772100000000 ] - [ -0.0003429700000000, 0.0022130000000000, 0.0018848700000000 ] - [ -0.0004259800000000, -0.0034022200000000, 0.0012304400000000 ] - [ -0.0002850500000000, -0.0034021000000000, 0.0012276700000000 ] - [ -0.0003575800000000, -0.0031133700000000, 0.0011333100000000 ] - [ 0.0038386400000000, -0.0018154700000000, -0.0049964100000000 ] - [ -0.0032710200000000, -0.0018136100000000, -0.0048622800000000 ] - [ 0.0003567100000000, -0.0040103500000000, -0.0011859500000000 ] - [ 0.0002603300000000, -0.0030946900000000, -0.0011615600000000 ] - [ 0.0004544900000000, -0.0030941500000000, -0.0011652700000000 ] - [ 0.0003570200000000, -0.0033616200000000, -0.0011821400000000 ] - [ 0.0003610100000000, -0.0041011400000000, -0.0009764200000000 ] - [ 0.0004024200000000, -0.0039565500000000, -0.0010635900000000 ] - [ 0.0003160600000000, -0.0039566400000000, -0.0010620200000000 ] - [ 0.0003576600000000, -0.0033606500000000, -0.0011517000000000 ] - [ 0.0003437100000000, -0.0033837400000000, -0.0011474800000000 ] - [ 0.0003718100000000, -0.0033836600000000, -0.0011480700000000 ] - [ -0.0022756000000000, -0.0018261000000000, 0.0014702000000000 ] - [ 0.0003561900000000, -0.0040104100000000, -0.0012217300000000 ] - [ 0.0030926200000000, -0.0018242600000000, 0.0013693200000000 ] - [ 0.0004129100000000, -0.0030932900000000, -0.0012679300000000 ] - [ 0.0003560000000000, -0.0033616100000000, -0.0012407600000000 ] - [ 0.0002979000000000, -0.0030929000000000, -0.0012656500000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000637800000000, 0.0001592500000000, 0.0007388700000000 ] - [ 0.0002405900000000, -0.0002628300000000, 0.0000036400000000 ] - [ -0.0003942600000000, -0.0002629800000000, 0.0000160200000000 ] - [ -0.0001133500000000, 0.0030192500000000, -0.0018991200000000 ] - [ -0.0003828700000000, -0.0002883000000000, 0.0005238200000000 ] - [ 0.0002484300000000, -0.0002880800000000, 0.0005115300000000 ] - [ -0.0000260800000000, 0.0001354800000000, 0.0003817000000000 ] - [ -0.0000670300000000, 0.0002030100000000, 0.0005269200000000 ] - [ -0.0001129600000000, 0.0001350500000000, 0.0003835700000000 ] - [ -0.0001090700000000, -0.0002351400000000, 0.0001258900000000 ] - [ -0.0000733200000000, -0.0003210300000000, 0.0002049400000000 ] - [ -0.0000404700000000, -0.0002351100000000, 0.0001238400000000 ] - [ 0.0000364400000000, -0.0002857900000000, 0.0002419100000000 ] - [ -0.0001813000000000, -0.0002855100000000, 0.0002458700000000 ] - [ -0.0000755900000000, -0.0003973900000000, 0.0000621300000000 ] - [ -0.0004044200000000, -0.0004141300000000, 0.0005478000000000 ] - [ 0.0002716900000000, -0.0004141000000000, 0.0005348200000000 ] - [ -0.0000605600000000, -0.0001952300000000, 0.0008885700000000 ] - [ 0.0006572500000000, 0.0012947200000000, 0.0003549600000000 ] - [ -0.0007963400000000, 0.0012936500000000, 0.0003853700000000 ] - [ -0.0000805100000000, 0.0002854800000000, -0.0001574700000000 ] - [ -0.0001447900000000, 0.0010106200000000, 0.0002542500000000 ] - [ 0.0000001500000000, 0.0010107800000000, 0.0002512500000000 ] - [ -0.0000684800000000, 0.0006233600000000, 0.0004561400000000 ] - [ -0.0000665500000000, 0.0002636800000000, 0.0005674000000000 ] - [ -0.0001001200000000, 0.0002327600000000, 0.0005221600000000 ] - [ -0.0000334400000000, 0.0002328300000000, 0.0005211200000000 ] - [ -0.0000692100000000, 0.0005451100000000, 0.0003992100000000 ] - [ -0.0000933400000000, 0.0005998100000000, 0.0004079800000000 ] - [ -0.0000456300000000, 0.0005996600000000, 0.0004070300000000 ] - [ -0.0003011600000000, 0.0002271000000000, 0.0004013800000000 ] - [ -0.0000768300000000, 0.0002196000000000, 0.0000318800000000 ] - [ 0.0001635600000000, 0.0002270700000000, 0.0003941800000000 ] - [ -0.0001467600000000, 0.0008653100000000, 0.0002954500000000 ] - [ -0.0000696800000000, 0.0005983400000000, 0.0003950800000000 ] - [ 0.0000035600000000, 0.0008661200000000, 0.0002919400000000 ] - [ 0.0000547500000000, 0.0000071500000000, -0.0011698900000000 ] - [ -0.0011613200000000, -0.0003498600000000, -0.0011565100000000 ] - [ 0.0012690600000000, -0.0003497000000000, -0.0012030300000000 ] - [ 0.0000719900000000, 0.0007932500000000, -0.0002589000000000 ] - [ 0.0001331000000000, 0.0007274800000000, -0.0002981100000000 ] - [ 0.0000098900000000, 0.0007275500000000, -0.0002958300000000 ] - [ 0.0004297000000000, 0.0000031300000000, 0.0001502600000000 ] - [ 0.0000794200000000, 0.0001318300000000, 0.0001183700000000 ] - [ -0.0002688600000000, 0.0000034400000000, 0.0001628300000000 ] - [ 0.0000597700000000, 0.0006766800000000, -0.0003469700000000 ] - [ 0.0000701300000000, 0.0006676200000000, -0.0003595300000000 ] - [ 0.0000810500000000, 0.0006767800000000, -0.0003472700000000 ] - [ -0.0007158100000000, -0.0000784100000000, -0.0007260300000000 ] - [ 0.0008419000000000, -0.0000782700000000, -0.0007564100000000 ] - [ -0.0000572100000000, -0.0537507000000000, -0.0073806900000000 ] - [ 0.0001328300000000, 0.0006977900000000, -0.0003424900000000 ] - [ 0.0000083000000000, 0.0006976900000000, -0.0003399800000000 ] - [ 0.0000663200000000, 0.0010671200000000, -0.0005688900000000 ] - [ -0.0013573600000000, -0.0046581500000000, -0.0025247900000000 ] - [ 0.0000705300000000, -0.0008512400000000, -0.0003384800000000 ] - [ 0.0014137200000000, -0.0046606500000000, -0.0025792200000000 ] - [ 0.0000658200000000, 0.0000337200000000, -0.0002930600000000 ] - [ 0.0000717900000000, -0.0001292000000000, -0.0002807200000000 ] - [ 0.0000770500000000, 0.0000334800000000, -0.0002930000000000 ] - [ 0.0001296300000000, -0.0008235300000000, -0.0001381500000000 ] - [ 0.0000196300000000, -0.0008235700000000, -0.0001364000000000 ] - [ 0.0000719100000000, -0.0007461100000000, -0.0002625000000000 ] - [ 0.0000659300000000, -0.0001432600000000, -0.0002777600000000 ] - [ 0.0000775700000000, -0.0001431400000000, -0.0002777100000000 ] - [ 0.0000725400000000, -0.0000725800000000, -0.0002381700000000 ] - [ 0.0000690200000000, -0.0008203600000000, -0.0004209700000000 ] - [ 0.0003201000000000, -0.0018355800000000, -0.0001162300000000 ] - [ -0.0001684300000000, -0.0018337800000000, -0.0001094200000000 ] - [ 0.0000711800000000, -0.0001246800000000, -0.0002981500000000 ] - [ 0.0000904000000000, 0.0000028500000000, -0.0002719500000000 ] - [ 0.0000535200000000, 0.0000026900000000, -0.0002712700000000 ] - [ 0.0006405000000000, 0.0826074500000000, 0.0140186500000000 ] - [ 0.0004269100000000, 0.0043441700000000, -0.0010190400000000 ] - [ 0.0002922000000000, 0.0043441800000000, -0.0010165100000000 ] - [ 0.0003577600000000, 0.0033396500000000, -0.0011268900000000 ] - [ 0.0003679900000000, 0.0033147000000000, -0.0011781500000000 ] - [ 0.0003450500000000, 0.0033146100000000, -0.0011774600000000 ] - [ 0.0005474900000000, 0.0041961700000000, -0.0013953900000000 ] - [ 0.0003579800000000, 0.0040075600000000, -0.0010881300000000 ] - [ 0.0001572000000000, 0.0041969600000000, -0.0013879600000000 ] - [ 0.0003911300000000, 0.0033689100000000, -0.0012514600000000 ] - [ 0.0003560900000000, 0.0033380100000000, -0.0011928900000000 ] - [ 0.0003193000000000, 0.0033689600000000, -0.0012500800000000 ] - [ 0.0003113900000000, 0.0041965600000000, -0.0010543700000000 ] - [ 0.0004061800000000, 0.0041974300000000, -0.0010560400000000 ] - [ 0.0003536800000000, 0.0040084300000000, -0.0013080800000000 ] - [ 0.0003294600000000, 0.0033685300000000, -0.0011608900000000 ] - [ 0.0003841400000000, 0.0033686300000000, -0.0011619500000000 ] - [ 0.0003556400000000, 0.0033374300000000, -0.0012316100000000 ] - [ -0.0005625400000000, 0.0027970400000000, 0.0010292900000000 ] - [ -0.0003546900000000, 0.0035281900000000, 0.0012959400000000 ] - [ -0.0001582800000000, 0.0027967400000000, 0.0010221600000000 ] - [ 0.0002028200000000, 0.0027912900000000, 0.0017298700000000 ] - [ -0.0003593300000000, 0.0035300900000000, 0.0010579200000000 ] - [ -0.0008951100000000, 0.0027910700000000, 0.0017505800000000 ] - [ -0.0002486300000000, 0.0035099700000000, 0.0010061500000000 ] - [ -0.0004724400000000, 0.0035099300000000, 0.0010105000000000 ] - [ -0.0003627700000000, 0.0034010600000000, 0.0008795500000000 ] - [ -0.0002720600000000, 0.0035120700000000, 0.0011799700000000 ] - [ -0.0004420800000000, 0.0035120800000000, 0.0011834700000000 ] - [ -0.0003554000000000, 0.0034033700000000, 0.0012758400000000 ] - [ -0.0003537200000000, 0.0035471400000000, 0.0013472600000000 ] - [ -0.0002996600000000, 0.0031659600000000, 0.0013969400000000 ] - [ -0.0004067100000000, 0.0031679400000000, 0.0013986200000000 ] - [ -0.0003576200000000, 0.0035488900000000, 0.0011633400000000 ] - [ -0.0011472700000000, 0.0031635100000000, 0.0003933300000000 ] - [ 0.0004010500000000, 0.0031654400000000, 0.0003646700000000 ] - [ -0.0003790900000000, -0.0045687800000000, 0.0000279900000000 ] - [ -0.0011961500000000, -0.0044007100000000, 0.0003631800000000 ] - [ 0.0004521300000000, -0.0044016500000000, 0.0003303400000000 ] - [ -0.0003563800000000, -0.0038599100000000, 0.0011793800000000 ] - [ -0.0002187300000000, -0.0040542200000000, 0.0012354300000000 ] - [ -0.0004916800000000, -0.0040537100000000, 0.0012406900000000 ] - [ -0.0002749700000000, -0.0035897300000000, 0.0012482000000000 ] - [ -0.0003556400000000, -0.0034494300000000, 0.0012297700000000 ] - [ -0.0004347100000000, -0.0035897100000000, 0.0012506100000000 ] - [ -0.0005085000000000, -0.0039925300000000, 0.0009341000000000 ] - [ -0.0003590700000000, -0.0038631000000000, 0.0010307800000000 ] - [ -0.0002143400000000, -0.0039918600000000, 0.0009290600000000 ] - [ -0.0007362400000000, -0.0035296700000000, 0.0015520000000000 ] - [ 0.0000372300000000, -0.0035289300000000, 0.0015372500000000 ] - [ -0.0003704100000000, -0.0093368800000000, 0.0004542700000000 ] - [ -0.0002866800000000, -0.0038700900000000, 0.0010816300000000 ] - [ -0.0004298600000000, -0.0038701100000000, 0.0010844100000000 ] - [ -0.0003562100000000, -0.0041637900000000, 0.0011811200000000 ] - [ -0.0031443700000000, -0.0054554900000000, 0.0027065900000000 ] - [ 0.0040076600000000, -0.0054574300000000, 0.0025719800000000 ] - [ 0.0003582700000000, -0.0032581000000000, -0.0011285200000000 ] - [ 0.0004522900000000, -0.0041783500000000, -0.0011489100000000 ] - [ 0.0002629400000000, -0.0041789400000000, -0.0011453300000000 ] - [ 0.0003580800000000, -0.0039123100000000, -0.0011302400000000 ] - [ 0.0003538100000000, -0.0031657000000000, -0.0013403700000000 ] - [ 0.0003124900000000, -0.0033120200000000, -0.0012515500000000 ] - [ 0.0003991100000000, -0.0033120700000000, -0.0012531100000000 ] - [ 0.0003573200000000, -0.0039139600000000, -0.0011609900000000 ] - [ 0.0003710900000000, -0.0038902400000000, -0.0011652300000000 ] - [ 0.0003435100000000, -0.0038902500000000, -0.0011644600000000 ] - [ 0.0030395700000000, -0.0054665500000000, -0.0038321600000000 ] - [ 0.0003587400000000, -0.0032582300000000, -0.0010904200000000 ] - [ -0.0024282700000000, -0.0054685000000000, -0.0037295200000000 ] - [ 0.0003042800000000, -0.0041770200000000, -0.0010476400000000 ] - [ 0.0003589500000000, -0.0039122100000000, -0.0010728600000000 ] - [ 0.0004148400000000, -0.0041778500000000, -0.0010496300000000 ]- atom: 73 displacement: [ -0.0066099205844607, 0.0000000000000000, 0.0075039289620253 ] forces: - [ -0.0003792000000000, -0.0004568300000000, 0.0005603400000000 ] - [ -0.0000571600000000, -0.0000783100000000, 0.0005632200000000 ] - [ 0.0002342100000000, -0.0005006600000000, 0.0004657300000000 ] - [ -0.0001610000000000, -0.0010493300000000, 0.0007428200000000 ] - [ -0.0000443500000000, -0.0007016200000000, 0.0006009000000000 ] - [ 0.0001051200000000, -0.0002637000000000, 0.0004935300000000 ] - [ -0.0001335900000000, -0.0010857000000000, 0.0001042700000000 ] - [ -0.0000560600000000, -0.0008087300000000, 0.0001144700000000 ] - [ -0.0000418800000000, -0.0004605800000000, 0.0003654600000000 ] - [ -0.0001873800000000, 0.0001072800000000, 0.0000204300000000 ] - [ -0.0001554600000000, -0.0002673700000000, 0.0001966300000000 ] - [ 0.0000125300000000, -0.0004333400000000, 0.0003370000000000 ] - [ 0.0001746500000000, -0.0002047000000000, 0.0001446300000000 ] - [ -0.0000779800000000, -0.0003930400000000, 0.0002612300000000 ] - [ -0.0003219100000000, -0.0002742500000000, 0.0001700500000000 ] - [ 0.0000242900000000, -0.0008375100000000, 0.0003498300000000 ] - [ -0.0000348500000000, -0.0004914700000000, 0.0001971300000000 ] - [ -0.0002527200000000, -0.0006953500000000, 0.0001671900000000 ] - [ -0.0017770700000000, -0.0025410200000000, -0.0000711600000000 ] - [ -0.0001919700000000, 0.0007884100000000, 0.0006639200000000 ] - [ 0.0006154600000000, 0.0004055000000000, 0.0008438700000000 ] - [ -0.0000905900000000, 0.0005505300000000, 0.0002327500000000 ] - [ -0.0000977400000000, 0.0003469900000000, 0.0003554000000000 ] - [ 0.0000142900000000, 0.0003693000000000, 0.0003748400000000 ] - [ 0.0002577800000000, 0.0003415000000000, -0.0001668700000000 ] - [ -0.0003434500000000, 0.0003934400000000, -0.0001493800000000 ] - [ -0.0001878600000000, 0.0005298600000000, -0.0002109800000000 ] - [ -0.0000261500000000, 0.0004841400000000, 0.0001961300000000 ] - [ -0.0000910700000000, 0.0004760100000000, 0.0002042400000000 ] - [ -0.0001113700000000, 0.0003919700000000, 0.0002243500000000 ] - [ -0.0012605900000000, 0.0011605200000000, 0.0023567500000000 ] - [ 0.0005411000000000, 0.0006282600000000, 0.0004178300000000 ] - [ -0.0001663000000000, 0.0005606900000000, 0.0005614200000000 ] - [ -0.0001083400000000, 0.0001443600000000, 0.0004562300000000 ] - [ 0.0000034300000000, 0.0002873400000000, 0.0003441600000000 ] - [ -0.0000754900000000, 0.0002910100000000, 0.0003695800000000 ] - [ -0.0014447700000000, 0.0008097700000000, -0.0012042000000000 ] - [ 0.0004088200000000, 0.0003645200000000, -0.0006333700000000 ] - [ 0.0023974800000000, 0.0000081400000000, -0.0017078400000000 ] - [ 0.0000207000000000, 0.0002788600000000, -0.0002873300000000 ] - [ 0.0000749800000000, 0.0003687000000000, -0.0003280900000000 ] - [ 0.0001153600000000, 0.0003049400000000, -0.0002703500000000 ] - [ 0.0001372000000000, 0.0003671300000000, -0.0006213700000000 ] - [ -0.0005249500000000, 0.0001182700000000, -0.0010655500000000 ] - [ 0.0009856900000000, 0.0002700600000000, -0.0016874300000000 ] - [ 0.0000793000000000, 0.0003809700000000, -0.0003307900000000 ] - [ 0.0000565600000000, 0.0004243700000000, -0.0003862300000000 ] - [ 0.0000724000000000, 0.0003674600000000, -0.0003638600000000 ] - [ 0.0016982700000000, -0.0002363100000000, 0.0008648600000000 ] - [ 0.0003106400000000, 0.0008797900000000, 0.0008126400000000 ] - [ -0.0027791800000000, 0.0052186600000000, 0.0020687800000000 ] - [ 0.0001153700000000, 0.0004459700000000, -0.0003149600000000 ] - [ 0.0000873200000000, 0.0003377200000000, -0.0002420700000000 ] - [ 0.0000116300000000, 0.0003691000000000, -0.0002135800000000 ] - [ -0.0016483600000000, 0.0002071800000000, 0.0030685200000000 ] - [ 0.0017917300000000, -0.0003540500000000, 0.0003277200000000 ] - [ -0.0259094900000000, 0.0055253500000000, 0.0247558700000000 ] - [ 0.0000437000000000, -0.0004476400000000, -0.0002911900000000 ] - [ 0.0001154800000000, -0.0004372800000000, -0.0002970600000000 ] - [ 0.0000641400000000, -0.0004507800000000, -0.0002361200000000 ] - [ -0.0001507300000000, -0.0003687000000000, -0.0011216300000000 ] - [ -0.0003037800000000, -0.0002913600000000, -0.0008545700000000 ] - [ 0.0008990400000000, -0.0003318300000000, -0.0009650000000000 ] - [ 0.0000556600000000, -0.0004093700000000, -0.0003635700000000 ] - [ 0.0000431100000000, -0.0004268800000000, -0.0003653400000000 ] - [ 0.0001109800000000, -0.0004282200000000, -0.0003563000000000 ] - [ 0.0007131300000000, -0.0002201700000000, -0.0000737900000000 ] - [ -0.0011474500000000, -0.0001718000000000, -0.0003254800000000 ] - [ 0.0022700200000000, -0.0007176200000000, -0.0034491000000000 ] - [ 0.0000993300000000, -0.0004446800000000, -0.0003096900000000 ] - [ 0.0000506300000000, -0.0004556600000000, -0.0002932000000000 ] - [ 0.0000617200000000, -0.0004161800000000, -0.0003738100000000 ] - [ 0.0474781900000000, -0.0074602300000000, -0.0446718900000000 ] - [ -0.0037041200000000, 0.0034847900000000, -0.0025136600000000 ] - [ -0.0021401400000000, 0.0035816200000000, -0.0011081300000000 ] - [ 0.0004408700000000, 0.0036169200000000, -0.0012761600000000 ] - [ 0.0003300200000000, 0.0036458100000000, -0.0012150400000000 ] - [ 0.0003223100000000, 0.0036606500000000, -0.0012218800000000 ] - [ -0.0008445600000000, 0.0035339200000000, 0.0003543200000000 ] - [ 0.0007557900000000, 0.0037481500000000, -0.0004556300000000 ] - [ 0.0001024800000000, 0.0035938900000000, -0.0012252200000000 ] - [ 0.0003011500000000, 0.0036215300000000, -0.0010948300000000 ] - [ 0.0004100400000000, 0.0036922600000000, -0.0010994800000000 ] - [ 0.0003533100000000, 0.0036596200000000, -0.0011232600000000 ] - [ -0.0012041200000000, 0.0039372400000000, 0.0000307600000000 ] - [ 0.0004745700000000, 0.0036772300000000, -0.0008961500000000 ] - [ 0.0007557500000000, 0.0035837400000000, -0.0004694500000000 ] - [ 0.0003131900000000, 0.0037320800000000, -0.0010853800000000 ] - [ 0.0003417100000000, 0.0036830600000000, -0.0011334600000000 ] - [ 0.0004098200000000, 0.0036646600000000, -0.0010994000000000 ] - [ -0.0002226900000000, 0.0036949800000000, 0.0010111200000000 ] - [ -0.0006126300000000, 0.0035642200000000, 0.0009022600000000 ] - [ -0.0003773600000000, 0.0044354500000000, 0.0011501400000000 ] - [ -0.0002289900000000, 0.0036800700000000, 0.0010052500000000 ] - [ -0.0006133700000000, 0.0037395900000000, 0.0009021300000000 ] - [ -0.0003728900000000, 0.0034017000000000, 0.0011520100000000 ] - [ -0.0002342600000000, 0.0035979500000000, 0.0013795900000000 ] - [ -0.0001685700000000, 0.0037124100000000, 0.0014211400000000 ] - [ -0.0006759800000000, 0.0037248600000000, 0.0015220800000000 ] - [ -0.0001768300000000, 0.0034517900000000, 0.0014311000000000 ] - [ -0.0002252500000000, 0.0036035900000000, 0.0013706500000000 ] - [ -0.0006765500000000, 0.0034324300000000, 0.0015224500000000 ] - [ -0.0005438800000000, 0.0036415100000000, 0.0010581300000000 ] - [ -0.0002601100000000, 0.0035867300000000, 0.0011074000000000 ] - [ -0.0003384200000000, 0.0025537200000000, 0.0012088500000000 ] - [ -0.0005435800000000, 0.0037767100000000, 0.0010587100000000 ] - [ -0.0002424200000000, 0.0037806300000000, 0.0011232400000000 ] - [ -0.0003557400000000, 0.0038513500000000, 0.0012015100000000 ] - [ 0.0005799900000000, -0.0028093100000000, 0.0018691800000000 ] - [ -0.0004059200000000, -0.0036010600000000, 0.0011958100000000 ] - [ -0.0013948400000000, -0.0024803700000000, 0.0021437000000000 ] - [ -0.0002500200000000, -0.0036530300000000, 0.0012039800000000 ] - [ -0.0003878600000000, -0.0036036500000000, 0.0011723200000000 ] - [ -0.0003968800000000, -0.0037887400000000, 0.0011825100000000 ] - [ -0.0003292000000000, -0.0036523400000000, 0.0013199000000000 ] - [ 0.0001185900000000, -0.0036901700000000, 0.0016710300000000 ] - [ -0.0009176300000000, -0.0037577900000000, 0.0018799200000000 ] - [ -0.0003762500000000, -0.0035697700000000, 0.0012512500000000 ] - [ -0.0002440400000000, -0.0035443700000000, 0.0012761300000000 ] - [ -0.0004566600000000, -0.0033744500000000, 0.0013262000000000 ] - [ -0.0009156900000000, -0.0041806200000000, 0.0002867000000000 ] - [ -0.0009209200000000, -0.0036643200000000, 0.0002830500000000 ] - [ 0.0000812300000000, -0.0030998600000000, 0.0011258600000000 ] - [ -0.0004287100000000, -0.0035344400000000, 0.0010247200000000 ] - [ -0.0004494300000000, -0.0036303500000000, 0.0010440400000000 ] - [ -0.0002706100000000, -0.0036539700000000, 0.0010584500000000 ] - [ -0.0052916100000000, -0.0074257800000000, 0.0051913000000000 ] - [ 0.0011130200000000, -0.0037133200000000, -0.0018388300000000 ] - [ -0.0003608800000000, -0.0035881400000000, -0.0013158600000000 ] - [ 0.0003610700000000, -0.0035181800000000, -0.0011952900000000 ] - [ 0.0003993800000000, -0.0035940400000000, -0.0011998300000000 ] - [ 0.0002946100000000, -0.0035745500000000, -0.0011933300000000 ] - [ -0.0004188300000000, -0.0037705700000000, -0.0002795400000000 ] - [ 0.0005138800000000, -0.0037361500000000, -0.0006497300000000 ] - [ 0.0004922200000000, -0.0036775900000000, -0.0006714400000000 ] - [ 0.0003068400000000, -0.0036395300000000, -0.0010877400000000 ] - [ 0.0003929800000000, -0.0036332300000000, -0.0010579000000000 ] - [ 0.0003830100000000, -0.0036519700000000, -0.0010669700000000 ] - [ -0.0057032500000000, 0.0015142600000000, 0.0046930700000000 ] - [ -0.0003601800000000, -0.0036161300000000, -0.0013163100000000 ] - [ 0.0016272200000000, -0.0032478500000000, -0.0013820100000000 ] - [ 0.0003795000000000, -0.0036950300000000, -0.0011823000000000 ] - [ 0.0002948200000000, -0.0036172000000000, -0.0011932800000000 ] - [ 0.0003813100000000, -0.0035650400000000, -0.0012159900000000 ]- atom: 73 displacement: [ 0.0066099205844607, 0.0000000000000000, -0.0075039289620253 ] forces: - [ 0.0002375300000000, -0.0003593700000000, 0.0000582900000000 ] - [ -0.0000852700000000, -0.0007315100000000, 0.0000640700000000 ] - [ -0.0003752700000000, -0.0003072600000000, 0.0001633000000000 ] - [ 0.0000180800000000, 0.0002154000000000, -0.0000979200000000 ] - [ -0.0000940600000000, -0.0001067100000000, 0.0000243000000000 ] - [ -0.0002487700000000, -0.0005430700000000, 0.0001348100000000 ] - [ -0.0000088900000000, 0.0002762500000000, 0.0005232800000000 ] - [ -0.0000858700000000, 0.0000040900000000, 0.0005146100000000 ] - [ -0.0001007200000000, -0.0003431300000000, 0.0002641700000000 ] - [ 0.0000440100000000, -0.0009153600000000, 0.0006073800000000 ] - [ 0.0000126500000000, -0.0005412600000000, 0.0004333100000000 ] - [ -0.0001543400000000, -0.0003790400000000, 0.0002953400000000 ] - [ -0.0003205500000000, -0.0006043700000000, 0.0004861200000000 ] - [ -0.0000627000000000, -0.0004150700000000, 0.0003691100000000 ] - [ 0.0001825200000000, -0.0005347800000000, 0.0004620600000000 ] - [ -0.0001647900000000, 0.0000344100000000, 0.0002760500000000 ] - [ -0.0001104800000000, -0.0003165700000000, 0.0004303600000000 ] - [ 0.0001123700000000, -0.0001124400000000, 0.0004575200000000 ] - [ 0.0016175600000000, 0.0033690800000000, 0.0007085700000000 ] - [ 0.0000385100000000, 0.0000429700000000, -0.0000368200000000 ] - [ -0.0007533600000000, 0.0004034000000000, -0.0002180600000000 ] - [ -0.0000517300000000, 0.0002545500000000, 0.0003959500000000 ] - [ -0.0000451600000000, 0.0004558900000000, 0.0002745200000000 ] - [ -0.0001553000000000, 0.0004376800000000, 0.0002530500000000 ] - [ -0.0004017900000000, 0.0004673200000000, 0.0007991800000000 ] - [ 0.0002021900000000, 0.0004153000000000, 0.0007807200000000 ] - [ 0.0000467600000000, 0.0002769900000000, 0.0008455500000000 ] - [ -0.0001171900000000, 0.0003232800000000, 0.0004327000000000 ] - [ -0.0000505200000000, 0.0003310700000000, 0.0004240100000000 ] - [ -0.0000303400000000, 0.0004142900000000, 0.0004052200000000 ] - [ 0.0011360700000000, -0.0003341400000000, -0.0017539700000000 ] - [ -0.0006855200000000, 0.0001783300000000, 0.0002112800000000 ] - [ 0.0000334900000000, 0.0002408600000000, 0.0000752200000000 ] - [ -0.0000329800000000, 0.0006626200000000, 0.0001700800000000 ] - [ -0.0001458200000000, 0.0005198700000000, 0.0002841100000000 ] - [ -0.0000673100000000, 0.0005137000000000, 0.0002592800000000 ] - [ 0.0015723200000000, 0.0000008700000000, 0.0005819000000000 ] - [ -0.0002477200000000, 0.0004471600000000, 0.0000145200000000 ] - [ -0.0022460500000000, 0.0007879900000000, 0.0010725100000000 ] - [ 0.0001210900000000, 0.0005287600000000, -0.0003422200000000 ] - [ 0.0000668400000000, 0.0004392400000000, -0.0003010900000000 ] - [ 0.0000274200000000, 0.0005026500000000, -0.0003580400000000 ] - [ 0.0000046700000000, 0.0004422200000000, -0.0000096200000000 ] - [ 0.0006700500000000, 0.0006929000000000, 0.0004386200000000 ] - [ -0.0008521300000000, 0.0005380000000000, 0.0010719000000000 ] - [ 0.0000629200000000, 0.0004264300000000, -0.0002977700000000 ] - [ 0.0000855100000000, 0.0003825400000000, -0.0002413300000000 ] - [ 0.0000696600000000, 0.0004394500000000, -0.0002631200000000 ] - [ -0.0015583200000000, 0.0010430600000000, -0.0015032400000000 ] - [ -0.0001723500000000, -0.0000697500000000, -0.0014364800000000 ] - [ 0.0028687700000000, -0.0043196100000000, -0.0026742100000000 ] - [ 0.0000257500000000, 0.0003607500000000, -0.0003144600000000 ] - [ 0.0000551600000000, 0.0004689800000000, -0.0003867300000000 ] - [ 0.0001307100000000, 0.0004346900000000, -0.0004130700000000 ] - [ 0.0017062800000000, -0.0010175900000000, -0.0037371900000000 ] - [ -0.0016482000000000, -0.0004540300000000, -0.0009642600000000 ] - [ 0.0246052000000000, -0.0060439000000000, -0.0241802800000000 ] - [ 0.0000985700000000, -0.0003617700000000, -0.0003386200000000 ] - [ 0.0000266100000000, -0.0003716000000000, -0.0003323000000000 ] - [ 0.0000781600000000, -0.0003586200000000, -0.0003925600000000 ] - [ 0.0002969500000000, -0.0004389400000000, 0.0004945000000000 ] - [ 0.0004389700000000, -0.0005161800000000, 0.0002310700000000 ] - [ -0.0007539600000000, -0.0004728000000000, 0.0003421000000000 ] - [ 0.0000863500000000, -0.0003992500000000, -0.0002653200000000 ] - [ 0.0000989500000000, -0.0003818900000000, -0.0002633400000000 ] - [ 0.0000315800000000, -0.0003808300000000, -0.0002730900000000 ] - [ -0.0005733900000000, -0.0005859800000000, -0.0005542900000000 ] - [ 0.0012844200000000, -0.0006312400000000, -0.0002996900000000 ] - [ -0.0021296100000000, -0.0000666300000000, 0.0028080200000000 ] - [ 0.0000423800000000, -0.0003639200000000, -0.0003194700000000 ] - [ 0.0000917300000000, -0.0003541000000000, -0.0003362000000000 ] - [ 0.0000806900000000, -0.0003933300000000, -0.0002544500000000 ] - [ -0.0451819700000000, 0.0144187800000000, 0.0412325300000000 ] - [ 0.0044490600000000, 0.0037859000000000, 0.0002056100000000 ] - [ 0.0028225100000000, 0.0036887700000000, -0.0012001600000000 ] - [ 0.0002728000000000, 0.0036584700000000, -0.0010341600000000 ] - [ 0.0003837500000000, 0.0036269200000000, -0.0010957300000000 ] - [ 0.0003915200000000, 0.0036117000000000, -0.0010890400000000 ] - [ 0.0015624600000000, 0.0037411100000000, -0.0026724700000000 ] - [ -0.0000392500000000, 0.0035227100000000, -0.0018396100000000 ] - [ 0.0006028600000000, 0.0036773600000000, -0.0010981900000000 ] - [ 0.0004122000000000, 0.0036507300000000, -0.0012160100000000 ] - [ 0.0003039100000000, 0.0035798400000000, -0.0012118700000000 ] - [ 0.0003605600000000, 0.0036129200000000, -0.0011877900000000 ] - [ 0.0019336200000000, 0.0033309100000000, -0.0023530300000000 ] - [ 0.0002417300000000, 0.0035931500000000, -0.0014147200000000 ] - [ -0.0000402200000000, 0.0036850700000000, -0.0018545500000000 ] - [ 0.0004010300000000, 0.0035404500000000, -0.0012266500000000 ] - [ 0.0003720000000000, 0.0035895100000000, -0.0011777500000000 ] - [ 0.0003036500000000, 0.0036076200000000, -0.0012122000000000 ] - [ -0.0004900400000000, 0.0035741700000000, 0.0013033700000000 ] - [ -0.0001017900000000, 0.0037074500000000, 0.0014112000000000 ] - [ -0.0003370800000000, 0.0028410500000000, 0.0011616200000000 ] - [ -0.0004897300000000, 0.0035992400000000, 0.0013033300000000 ] - [ -0.0001023400000000, 0.0035320700000000, 0.0014109400000000 ] - [ -0.0003391800000000, 0.0038755400000000, 0.0011577200000000 ] - [ -0.0004800600000000, 0.0036730400000000, 0.0009306700000000 ] - [ -0.0005465200000000, 0.0035586100000000, 0.0008893500000000 ] - [ -0.0000407700000000, 0.0035463300000000, 0.0007885800000000 ] - [ -0.0005367300000000, 0.0038196600000000, 0.0008814100000000 ] - [ -0.0004888300000000, 0.0036697000000000, 0.0009391400000000 ] - [ -0.0000415400000000, 0.0038393700000000, 0.0007886400000000 ] - [ -0.0001704300000000, 0.0036296200000000, 0.0012543300000000 ] - [ -0.0004579500000000, 0.0036866400000000, 0.0012022500000000 ] - [ -0.0003738100000000, 0.0047336200000000, 0.0010995000000000 ] - [ -0.0001704300000000, 0.0034944800000000, 0.0012548900000000 ] - [ -0.0004675600000000, 0.0034946400000000, 0.0011938300000000 ] - [ -0.0003641400000000, 0.0034193800000000, 0.0011157000000000 ] - [ -0.0012861800000000, -0.0044688700000000, 0.0004388500000000 ] - [ -0.0003133800000000, -0.0036793100000000, 0.0011085300000000 ] - [ 0.0006730800000000, -0.0047865600000000, 0.0001756700000000 ] - [ -0.0004628800000000, -0.0036174600000000, 0.0011070900000000 ] - [ -0.0003271700000000, -0.0036649200000000, 0.0011373200000000 ] - [ -0.0003158200000000, -0.0034843500000000, 0.0011274200000000 ] - [ -0.0003849600000000, -0.0036205900000000, 0.0009893300000000 ] - [ -0.0008365900000000, -0.0035817700000000, 0.0006370100000000 ] - [ 0.0002095500000000, -0.0035125400000000, 0.0004242900000000 ] - [ -0.0003365400000000, -0.0037002400000000, 0.0010611900000000 ] - [ -0.0004696300000000, -0.0037264200000000, 0.0010352800000000 ] - [ -0.0002581200000000, -0.0038997100000000, 0.0009856900000000 ] - [ 0.0002078400000000, -0.0030872400000000, 0.0020368800000000 ] - [ 0.0002090200000000, -0.0036103300000000, 0.0020285300000000 ] - [ -0.0007939100000000, -0.0041527400000000, 0.0011878500000000 ] - [ -0.0002851200000000, -0.0037359600000000, 0.0012881600000000 ] - [ -0.0002641300000000, -0.0036400300000000, 0.0012676000000000 ] - [ -0.0004433100000000, -0.0036166900000000, 0.0012524900000000 ] - [ 0.0059386500000000, 0.0000680500000000, -0.0074325800000000 ] - [ -0.0004412000000000, -0.0035342700000000, -0.0005223600000000 ] - [ 0.0010748400000000, -0.0036832200000000, -0.0009952600000000 ] - [ 0.0003522900000000, -0.0037530900000000, -0.0011151400000000 ] - [ 0.0003171700000000, -0.0036769800000000, -0.0011109100000000 ] - [ 0.0004203200000000, -0.0036966200000000, -0.0011184300000000 ] - [ 0.0011350700000000, -0.0035002900000000, -0.0020388900000000 ] - [ 0.0001998200000000, -0.0035357900000000, -0.0016631000000000 ] - [ 0.0002249600000000, -0.0035943800000000, -0.0016435800000000 ] - [ 0.0004083500000000, -0.0036308700000000, -0.0012254300000000 ] - [ 0.0003220700000000, -0.0036375300000000, -0.0012547100000000 ] - [ 0.0003319600000000, -0.0036184400000000, -0.0012460300000000 ] - [ 0.0064932100000000, -0.0088806400000000, -0.0070791500000000 ] - [ 0.0010752100000000, -0.0036562100000000, -0.0009956300000000 ] - [ -0.0008971600000000, -0.0040137700000000, -0.0009196400000000 ] - [ 0.0003371600000000, -0.0035753800000000, -0.0011319000000000 ] - [ 0.0004205200000000, -0.0036535700000000, -0.0011189400000000 ] - [ 0.0003327000000000, -0.0037047800000000, -0.0010976400000000 ]